 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer05_STD_B3LYPDBJ_def2SVPD.in
 Output=21_phenylethanol_conformer05_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-31057.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     31058.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer05_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:38:33 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer05_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.206683000000      0.991247000000     -0.693458000000
  C                                                -1.642229000000     -0.263628000000     -0.312054000000
  H                                                -3.164880000000      0.922730000000     -0.631250000000
  H                                                -1.839152000000     -1.004057000000     -1.098273000000
  C                                                -2.254977000000     -0.761668000000      0.996255000000
  C                                                -0.146221000000     -0.098970000000     -0.189451000000
  H                                                -1.821288000000     -1.719640000000      1.286063000000
  H                                                -3.335121000000     -0.898007000000      0.890460000000
  H                                                -2.067076000000     -0.041194000000      1.793736000000
  C                                                 0.419918000000      1.122300000000      0.166451000000
  C                                                 1.795424000000      1.237450000000      0.329195000000
  C                                                 2.619920000000      0.134599000000      0.141627000000
  C                                                 2.060837000000     -1.086536000000     -0.217112000000
  C                                                 0.686656000000     -1.198736000000     -0.383700000000
  H                                                -0.222613000000      1.980785000000      0.301021000000
  H                                                 2.224694000000      2.193556000000      0.600973000000
  H                                                 3.691054000000      0.226969000000      0.266922000000
  H                                                 2.695233000000     -1.949451000000     -0.374819000000
  H                                                 0.256637000000     -2.150534000000     -0.674443000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 20:38:33 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.206683    0.991247   -0.693458
      2          6           0       -1.642229   -0.263628   -0.312054
      3          1           0       -3.164880    0.922730   -0.631250
      4          1           0       -1.839152   -1.004057   -1.098273
      5          6           0       -2.254977   -0.761668    0.996255
      6          6           0       -0.146221   -0.098970   -0.189451
      7          1           0       -1.821288   -1.719640    1.286063
      8          1           0       -3.335121   -0.898007    0.890460
      9          1           0       -2.067076   -0.041194    1.793736
     10          6           0        0.419918    1.122300    0.166451
     11          6           0        1.795424    1.237450    0.329195
     12          6           0        2.619920    0.134599    0.141627
     13          6           0        2.060837   -1.086536   -0.217112
     14          6           0        0.686656   -1.198736   -0.383700
     15          1           0       -0.222613    1.980785    0.301021
     16          1           0        2.224694    2.193556    0.600973
     17          1           0        3.691054    0.226969    0.266922
     18          1           0        2.695233   -1.949451   -0.374819
     19          1           0        0.256637   -2.150534   -0.674443
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.427862   0.000000
     3  H    0.962656   1.956476   0.000000
     4  H    2.068863   1.097795   2.384989   0.000000
     5  C    2.435195   1.528128   2.512746   2.149119   0.000000
     6  C    2.384974   1.510028   3.217353   2.123948   2.508370
     7  H    3.378748   2.169334   3.530361   2.489465   1.090773
     8  H    2.711356   2.171258   2.379005   2.490829   1.093843
     9  H    2.696583   2.159704   2.831056   3.056595   1.091039
    10  C    2.766885   2.530260   3.677898   3.350271   3.375348
    11  C    4.138030   3.805508   5.062225   4.502462   4.565872
    12  C    4.972656   4.304686   5.889177   4.766258   5.029742
    13  C    4.770306   3.794587   5.613981   3.999145   4.494891
    14  C    3.641893   2.510630   4.404115   2.632151   3.278492
    15  H    2.429960   2.725539   3.262751   3.671581   3.483519
    16  H    4.770556   4.671666   5.672819   5.443070   5.381175
    17  H    6.024098   5.387003   6.949434   5.827723   6.071624
    18  H    5.725209   4.653978   6.531164   4.688049   5.272120
    19  H    3.992380   2.701376   4.599304   2.426185   3.320901
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.758544   0.000000
     8  H    3.460311   1.767278   0.000000
     9  H    2.761531   1.770685   1.777069   0.000000
    10  C    1.392365   3.788556   4.325060   3.191695   0.000000
    11  C    2.413503   4.768709   5.585489   4.324201   1.389878
    12  C    2.795658   4.946945   6.090118   4.972756   2.411675
    13  C    2.418089   4.210849   5.511680   4.709131   2.778253
    14  C    1.393163   3.057651   4.229493   3.696508   2.400213
    15  H    2.138172   4.149604   4.280489   3.117473   1.080718
    16  H    3.391413   5.670311   6.368132   4.983581   2.143272
    17  H    3.878040   5.934126   7.142934   5.963148   3.392940
    18  H    3.395954   4.817707   6.250731   5.569889   3.860788
    19  H    2.146259   2.889122   4.113207   3.992601   3.383076
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.389696   0.000000
    13  C    2.402042   1.390122   0.000000
    14  C    2.769944   2.406504   1.388781   0.000000
    15  H    2.150771   3.393200   3.858894   3.377124   0.000000
    16  H    1.082716   2.146277   3.384541   3.852634   2.474784
    17  H    2.149038   1.082386   2.148765   3.388562   4.288802
    18  H    3.385503   2.148407   1.082567   2.144303   4.941390
    19  H    3.854036   3.387168   2.143917   1.084144   4.271886
                   16         17         18         19
    16  H    0.000000
    17  H    2.475735   0.000000
    18  H    4.282299   2.477962   0.000000
    19  H    4.936705   4.281811   2.465149   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.206683    0.991247   -0.693458
      2          6           0       -1.642229   -0.263628   -0.312054
      3          1           0       -3.164880    0.922730   -0.631250
      4          1           0       -1.839152   -1.004057   -1.098273
      5          6           0       -2.254977   -0.761668    0.996255
      6          6           0       -0.146221   -0.098970   -0.189451
      7          1           0       -1.821288   -1.719640    1.286063
      8          1           0       -3.335121   -0.898007    0.890460
      9          1           0       -2.067076   -0.041194    1.793736
     10          6           0        0.419918    1.122300    0.166451
     11          6           0        1.795424    1.237450    0.329195
     12          6           0        2.619920    0.134599    0.141627
     13          6           0        2.060837   -1.086536   -0.217112
     14          6           0        0.686656   -1.198736   -0.383700
     15          1           0       -0.222613    1.980785    0.301021
     16          1           0        2.224694    2.193556    0.600973
     17          1           0        3.691054    0.226969    0.266922
     18          1           0        2.695233   -1.949451   -0.374819
     19          1           0        0.256637   -2.150534   -0.674443
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4754003           1.1392966           0.9690623
 Leave Link  202 at Thu Aug 12 20:38:34 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   281 symmetry adapted cartesian basis functions of A   symmetry.
 There are   263 symmetry adapted basis functions of A   symmetry.
   263 basis functions,   391 primitive gaussians,   281 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.8905530360 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0323314813 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.8582215547 Hartrees.
 Leave Link  301 at Thu Aug 12 20:38:35 2021, MaxMem=  5368709120 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   263 RedAO= T EigKep=  5.37D-06  NBF=   263
 NBsUse=   263 1.00D-06 EigRej= -1.00D+00 NBFU=   263
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   281   281   281   281   281 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 20:38:36 2021, MaxMem=  5368709120 cpu:               3.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:38:36 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer05_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:38:37 2021, MaxMem=  5368709120 cpu:               3.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368546127 LenY=  5368466725
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.865483953815    
 DIIS: error= 3.39D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.865483953815     IErMin= 1 ErrMin= 3.39D-03
 ErrMax= 3.39D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.87D-03 BMatP= 6.87D-03
 IDIUse=3 WtCom= 9.66D-01 WtEn= 3.39D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.236 Goal=   None    Shift=    0.000
 GapD=    0.236 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.01D-02 MaxDP=5.86D-01              OVMax= 2.24D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.37D-02    CP:  1.46D+00
 E= -385.872021317703     Delta-E=       -0.006537363887 Rises=F Damp=F
 DIIS: error= 9.94D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.872021317703     IErMin= 2 ErrMin= 9.94D-04
 ErrMax= 9.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.76D-04 BMatP= 6.87D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.94D-03
 Coeff-Com:  0.415D-01 0.959D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.411D-01 0.959D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=9.45D-04 MaxDP=3.01D-02 DE=-6.54D-03 OVMax= 8.12D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.86D-04    CP:  1.48D+00  1.04D+00
 E= -385.871831031667     Delta-E=        0.000190286036 Rises=F Damp=F
 DIIS: error= 1.54D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -385.872021317703     IErMin= 2 ErrMin= 9.94D-04
 ErrMax= 1.54D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.61D-04 BMatP= 2.76D-04
 IDIUse=3 WtCom= 2.03D-01 WtEn= 7.97D-01
 Coeff-Com: -0.154D-01 0.596D+00 0.420D+00
 Coeff-En:   0.000D+00 0.629D+00 0.371D+00
 Coeff:     -0.313D-02 0.622D+00 0.381D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=1.35D-04 MaxDP=4.54D-03 DE= 1.90D-04 OVMax= 5.10D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.06D-04    CP:  1.48D+00  1.04D+00  7.14D-01
 E= -385.872255638724     Delta-E=       -0.000424607057 Rises=F Damp=F
 DIIS: error= 9.85D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.872255638724     IErMin= 4 ErrMin= 9.85D-05
 ErrMax= 9.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.55D-06 BMatP= 2.76D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.806D-02 0.230D+00 0.130D+00 0.648D+00
 Coeff:     -0.806D-02 0.230D+00 0.130D+00 0.648D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=3.41D-05 MaxDP=9.79D-04 DE=-4.25D-04 OVMax= 7.05D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.87D-05    CP:  1.48D+00  1.04D+00  6.91D-01  1.01D+00
 E= -385.872259506496     Delta-E=       -0.000003867772 Rises=F Damp=F
 DIIS: error= 4.92D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.872259506496     IErMin= 5 ErrMin= 4.92D-05
 ErrMax= 4.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.71D-07 BMatP= 4.55D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.194D-02 0.290D-01 0.442D-02 0.330D+00 0.638D+00
 Coeff:     -0.194D-02 0.290D-01 0.442D-02 0.330D+00 0.638D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=2.10D-05 MaxDP=6.82D-04 DE=-3.87D-06 OVMax= 4.51D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.09D-05    CP:  1.48D+00  1.04D+00  6.94D-01  1.02D+00  6.94D-01
 E= -385.872260213490     Delta-E=       -0.000000706993 Rises=F Damp=F
 DIIS: error= 1.33D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.872260213490     IErMin= 6 ErrMin= 1.33D-05
 ErrMax= 1.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-07 BMatP= 7.71D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.740D-03 0.505D-02-0.442D-02 0.164D+00 0.393D+00 0.443D+00
 Coeff:     -0.740D-03 0.505D-02-0.442D-02 0.164D+00 0.393D+00 0.443D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=5.31D-06 MaxDP=1.40D-04 DE=-7.07D-07 OVMax= 1.80D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.79D-06    CP:  1.48D+00  1.04D+00  6.96D-01  1.02D+00  7.35D-01
                    CP:  7.98D-01
 E= -385.872260355701     Delta-E=       -0.000000142211 Rises=F Damp=F
 DIIS: error= 2.29D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.872260355701     IErMin= 7 ErrMin= 2.29D-06
 ErrMax= 2.29D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.75D-09 BMatP= 1.30D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.297D-04-0.204D-02-0.247D-02 0.205D-01 0.736D-01 0.192D+00
 Coeff-Com:  0.719D+00
 Coeff:     -0.297D-04-0.204D-02-0.247D-02 0.205D-01 0.736D-01 0.192D+00
 Coeff:      0.719D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=1.53D-06 MaxDP=3.77D-05 DE=-1.42D-07 OVMax= 3.30D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.48D-07    CP:  1.48D+00  1.04D+00  6.95D-01  1.02D+00  7.38D-01
                    CP:  8.14D-01  8.29D-01
 E= -385.872260360807     Delta-E=       -0.000000005106 Rises=F Damp=F
 DIIS: error= 6.40D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.872260360807     IErMin= 8 ErrMin= 6.40D-07
 ErrMax= 6.40D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.48D-10 BMatP= 4.75D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.218D-04-0.117D-02-0.870D-03 0.124D-02 0.151D-01 0.661D-01
 Coeff-Com:  0.334D+00 0.585D+00
 Coeff:      0.218D-04-0.117D-02-0.870D-03 0.124D-02 0.151D-01 0.661D-01
 Coeff:      0.334D+00 0.585D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=3.26D-07 MaxDP=7.06D-06 DE=-5.11D-09 OVMax= 9.38D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.27D-07    CP:  1.48D+00  1.04D+00  6.96D-01  1.02D+00  7.38D-01
                    CP:  8.18D-01  8.46D-01  7.43D-01
 E= -385.872260361118     Delta-E=       -0.000000000311 Rises=F Damp=F
 DIIS: error= 2.48D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.872260361118     IErMin= 9 ErrMin= 2.48D-07
 ErrMax= 2.48D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.51D-11 BMatP= 3.48D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.148D-04-0.411D-03-0.182D-03-0.172D-02-0.322D-04 0.149D-01
 Coeff-Com:  0.109D+00 0.330D+00 0.549D+00
 Coeff:      0.148D-04-0.411D-03-0.182D-03-0.172D-02-0.322D-04 0.149D-01
 Coeff:      0.109D+00 0.330D+00 0.549D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=1.01D-07 MaxDP=2.19D-06 DE=-3.11D-10 OVMax= 3.81D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.57D-08    CP:  1.48D+00  1.04D+00  6.96D-01  1.02D+00  7.39D-01
                    CP:  8.19D-01  8.45D-01  7.46D-01  7.27D-01
 E= -385.872260361162     Delta-E=       -0.000000000044 Rises=F Damp=F
 DIIS: error= 7.15D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.872260361162     IErMin=10 ErrMin= 7.15D-08
 ErrMax= 7.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.12D-12 BMatP= 5.51D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.635D-05-0.132D-03-0.326D-04-0.103D-02-0.121D-02 0.295D-02
 Coeff-Com:  0.332D-01 0.133D+00 0.295D+00 0.538D+00
 Coeff:      0.635D-05-0.132D-03-0.326D-04-0.103D-02-0.121D-02 0.295D-02
 Coeff:      0.332D-01 0.133D+00 0.295D+00 0.538D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=3.48D-08 MaxDP=1.01D-06 DE=-4.35D-11 OVMax= 1.24D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.77D-08    CP:  1.48D+00  1.04D+00  6.96D-01  1.02D+00  7.39D-01
                    CP:  8.19D-01  8.45D-01  7.56D-01  7.39D-01  7.61D-01
 E= -385.872260361181     Delta-E=       -0.000000000019 Rises=F Damp=F
 DIIS: error= 3.68D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -385.872260361181     IErMin=11 ErrMin= 3.68D-08
 ErrMax= 3.68D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.91D-13 BMatP= 4.12D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.127D-05-0.938D-05 0.101D-04-0.311D-03-0.718D-03-0.783D-03
 Coeff-Com:  0.124D-02 0.229D-01 0.819D-01 0.321D+00 0.575D+00
 Coeff:      0.127D-05-0.938D-05 0.101D-04-0.311D-03-0.718D-03-0.783D-03
 Coeff:      0.124D-02 0.229D-01 0.819D-01 0.321D+00 0.575D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=1.25D-08 MaxDP=3.80D-07 DE=-1.88D-11 OVMax= 4.29D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.46D-09    CP:  1.48D+00  1.04D+00  6.96D-01  1.02D+00  7.39D-01
                    CP:  8.19D-01  8.45D-01  7.61D-01  7.48D-01  7.73D-01
                    CP:  6.82D-01
 E= -385.872260361177     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 4.43D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -385.872260361181     IErMin=12 ErrMin= 4.43D-09
 ErrMax= 4.43D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-14 BMatP= 6.91D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.474D-07 0.736D-05 0.602D-05-0.284D-04-0.159D-03-0.513D-03
 Coeff-Com: -0.219D-02-0.213D-02 0.591D-02 0.794D-01 0.217D+00 0.702D+00
 Coeff:     -0.474D-07 0.736D-05 0.602D-05-0.284D-04-0.159D-03-0.513D-03
 Coeff:     -0.219D-02-0.213D-02 0.591D-02 0.794D-01 0.217D+00 0.702D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=2.88D-09 MaxDP=7.86D-08 DE= 3.52D-12 OVMax= 4.13D-08

 SCF Done:  E(RB3LYP) =  -385.872260361     A.U. after   12 cycles
            NFock= 12  Conv=0.29D-08     -V/T= 2.0112
 KE= 3.816016664717D+02 PE=-1.746866753313D+03 EE= 5.535346049254D+02
 Leave Link  502 at Thu Aug 12 20:39:57 2021, MaxMem=  5368709120 cpu:             635.9 elap:              79.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   263
 NBasis=   263 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    263 NOA=    33 NOB=    33 NVA=   230 NVB=   230

 **** Warning!!: The largest alpha MO coefficient is  0.71809207D+02

 Leave Link  801 at Thu Aug 12 20:39:57 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5740 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.26D-13 8.33D-09 XBig12= 1.00D+00 4.57D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.26D-13 8.33D-09 XBig12= 4.12D-01 1.17D-01.
     11 vectors produced by pass  2 Test12= 1.26D-13 8.33D-09 XBig12= 4.75D-02 5.33D-02.
     11 vectors produced by pass  3 Test12= 1.26D-13 8.33D-09 XBig12= 2.26D-03 1.50D-02.
     11 vectors produced by pass  4 Test12= 1.26D-13 8.33D-09 XBig12= 1.78D-04 4.04D-03.
     11 vectors produced by pass  5 Test12= 1.26D-13 8.33D-09 XBig12= 6.04D-06 5.01D-04.
     11 vectors produced by pass  6 Test12= 1.26D-13 8.33D-09 XBig12= 1.17D-07 4.42D-05.
     11 vectors produced by pass  7 Test12= 1.26D-13 8.33D-09 XBig12= 1.29D-09 4.01D-06.
     10 vectors produced by pass  8 Test12= 1.26D-13 8.33D-09 XBig12= 1.26D-11 3.71D-07.
      8 vectors produced by pass  9 Test12= 1.26D-13 8.33D-09 XBig12= 1.23D-13 5.86D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.130345D+03
      2  0.113609D+01  0.104355D+03
      3  0.143095D+01  0.653398D+01  0.713177D+02
 Isotropic polarizability for W=    0.085645      102.01 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.822159D+02  0.100494D+02  0.311232D+01
      2  -0.297181D+02 -0.142834D+02 -0.157142D+02
      3  -0.524977D+02  0.423398D+01  0.126019D+02
      4  -0.190420D+02  0.739243D+02  0.347537D+02
      5   0.306023D+02  0.361288D+02 -0.134056D+02
      6   0.140979D+02  0.962857D+01 -0.163804D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.122113D+01  0.330515D+01  0.706739D+01
      2   0.724575D+01  0.142625D+02 -0.298347D+01
      3  -0.640601D+01 -0.406923D+02 -0.134236D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.137514D+01  0.253428D+02  0.206144D+02
      2  -0.274900D+02  0.206558D+02  0.390922D+02
      3  -0.290914D+02 -0.103642D+03 -0.220310D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.763209D+00 -0.290612D+01 -0.122497D+01
      2  -0.290612D+01 -0.215843D+01  0.285017D+01
      3  -0.122497D+01  0.285017D+01  0.101294D+01
 OR G Eigenvalues:    -4.6216    -0.3361     4.5754  Iso=     0.1274
 Eigenvectors:
   (1)   0.382126   0.855417  -0.349630
   (2)   0.709046  -0.028762   0.704575
   (3)  -0.592650   0.517140   0.617521
 w=    0.085645 a.u., Optical Rotation Beta=      0.1274 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       49.47 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   34716 ScalPx= 4.68D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.47D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.11D-14 2.78D-09 XBig12= 1.00D+00 3.53D-01.
     30 vectors produced by pass  1 Test12= 2.11D-14 2.78D-09 XBig12= 3.57D-02 4.16D-02.
     30 vectors produced by pass  2 Test12= 2.11D-14 2.78D-09 XBig12= 9.39D-04 3.37D-03.
     30 vectors produced by pass  3 Test12= 2.11D-14 2.78D-09 XBig12= 1.16D-05 4.13D-04.
     30 vectors produced by pass  4 Test12= 2.11D-14 2.78D-09 XBig12= 6.28D-08 3.11D-05.
     30 vectors produced by pass  5 Test12= 2.11D-14 2.78D-09 XBig12= 2.17D-10 1.64D-06.
     30 vectors produced by pass  6 Test12= 2.11D-14 2.78D-09 XBig12= 4.08D-13 6.62D-08.
      1 vectors produced by pass  7 Test12= 2.11D-14 2.78D-09 XBig12= 7.54D-16 2.86D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   211 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 1.06D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 1.06D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.62D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.130345D+03  0.113609D+01  0.143095D+01
      2   0.113609D+01  0.104355D+03  0.653398D+01
      3   0.143095D+01  0.653398D+01  0.713177D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.122113D+01  0.330515D+01  0.706739D+01
      2   0.724575D+01  0.142625D+02 -0.298347D+01
      3  -0.640601D+01 -0.406923D+02 -0.134236D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.822159D+02  0.100494D+02  0.311232D+01
      2  -0.297181D+02 -0.142834D+02 -0.157142D+02
      3  -0.524977D+02  0.423398D+01  0.126019D+02
      4  -0.190420D+02  0.739243D+02  0.347537D+02
      5   0.306023D+02  0.361288D+02 -0.134056D+02
      6   0.140979D+02  0.962857D+01 -0.163804D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.768733D+01  0.257286D+00 -0.988330D-01  0.159328D+01 -0.211730D+01
      2   0.257286D+00  0.576304D+00  0.394143D+00 -0.211730D+01  0.328198D+01
      3  -0.988330D-01  0.394143D+00  0.228727D+00  0.136554D+01 -0.244432D+01
                 6             7             8             9            10 
      1   0.136554D+01 -0.131990D+00  0.984016D+00 -0.129541D+01  0.634930D+01
      2  -0.244432D+01  0.984016D+00 -0.575118D+00  0.121389D+01  0.176001D+01
      3   0.836965D+00 -0.129541D+01  0.121389D+01 -0.165105D+01 -0.993106D+00
                11            12            13            14            15 
      1   0.176001D+01 -0.993106D+00  0.498588D+01  0.395454D+01 -0.195339D+01
      2   0.139865D+01 -0.123932D+01  0.395454D+01  0.143627D+01  0.373316D+01
      3  -0.123932D+01  0.216610D+01 -0.195339D+01  0.373316D+01  0.360269D+01
                16            17            18            19            20 
      1  -0.526581D+01 -0.182815D+01  0.466718D+01 -0.122367D+02  0.216014D+01
      2  -0.182815D+01  0.194994D+01  0.389460D+01  0.216014D+01 -0.164244D+01
      3   0.466718D+01  0.389460D+01  0.529354D+00 -0.107792D+01  0.482073D+00
                21            22            23            24            25 
      1  -0.107792D+01  0.682212D+00 -0.928958D+00 -0.396608D-01  0.495651D+00
      2   0.482073D+00 -0.928958D+00  0.675741D+00 -0.921866D-02 -0.131722D+00
      3  -0.130021D+01 -0.396608D-01 -0.921866D-02  0.180898D+00 -0.814051D+00
                26            27            28            29            30 
      1  -0.131722D+00 -0.814051D+00 -0.113060D+01 -0.129040D+01 -0.106936D+01
      2   0.110325D+00  0.311139D+00 -0.129040D+01 -0.927643D+00 -0.380699D+00
      3   0.311139D+00 -0.423487D+00 -0.106936D+01 -0.380699D+00 -0.125812D+01
                31            32            33            34            35 
      1  -0.358996D+01 -0.181291D+01 -0.761963D+00 -0.199057D+01 -0.773937D+00
      2  -0.181291D+01 -0.409416D+01 -0.259330D+01 -0.773937D+00 -0.257232D+01
      3  -0.761963D+00 -0.259330D+01 -0.295339D+01 -0.197466D+01 -0.274634D+01
                36            37            38            39            40 
      1  -0.197466D+01  0.102149D+02  0.177192D+01  0.462669D+00 -0.223559D+00
      2  -0.274634D+01  0.177192D+01 -0.227515D+01  0.909712D+00 -0.266001D+01
      3  -0.444604D+01  0.462669D+00  0.909712D+00 -0.225945D+01  0.181868D+01
                41            42            43            44            45 
      1  -0.266001D+01  0.181868D+01  0.640671D+01  0.229610D+01 -0.377990D+01
      2   0.254486D+01 -0.312605D+01  0.229610D+01 -0.183646D+01 -0.316235D+01
      3  -0.312605D+01 -0.302878D+01 -0.377990D+01 -0.316235D+01 -0.319093D+00
                46            47            48            49            50 
      1  -0.194981D+02 -0.318579D+01  0.395889D+00 -0.383410D+01  0.838232D+00
      2  -0.318579D+01 -0.289319D+01  0.512829D-02  0.838232D+00 -0.835663D-01
      3   0.395889D+00  0.512829D-02 -0.167287D+01  0.145244D+01 -0.369305D+00
                51            52            53            54            55 
      1   0.145244D+01 -0.479961D+00  0.140960D+01 -0.392020D+01  0.128972D+00
      2  -0.369305D+00  0.140960D+01 -0.403164D+00 -0.731399D+00 -0.107855D+01
      3  -0.236984D+00 -0.392020D+01 -0.731399D+00 -0.101915D+01  0.243583D+00
                56            57            58            59            60 
      1  -0.107855D+01  0.243583D+00 -0.167681D+01  0.643122D+00 -0.172449D+00
      2   0.159585D+01 -0.769273D+00  0.643122D+00 -0.617020D+01  0.245470D+01
      3  -0.769273D+00  0.110601D+01 -0.172449D+00  0.245470D+01 -0.193586D+01
                61            62            63            64            65 
      1  -0.333696D-01 -0.382795D+00  0.401824D+00 -0.147543D+02 -0.235730D+01
      2  -0.382795D+00  0.162136D+01 -0.131114D+01 -0.235730D+01 -0.134735D+01
      3   0.401824D+00 -0.131114D+01  0.169128D+01  0.130418D+01  0.379616D+00
                66            67            68            69            70 
      1   0.130418D+01 -0.175420D+01 -0.156088D+01  0.141015D-01 -0.167454D+01
      2   0.379616D+00 -0.156088D+01 -0.105215D+01  0.480048D+00 -0.377048D+00
      3  -0.147909D+01  0.141015D-01  0.480048D+00 -0.199122D-01 -0.901703D+00
                71            72            73            74            75 
      1  -0.377048D+00 -0.901703D+00 -0.317826D+00  0.443404D+00  0.481458D+00
      2  -0.149912D+00  0.977064D-01  0.443404D+00  0.473237D+00 -0.157695D-01
      3   0.977064D-01 -0.770080D-01  0.481458D+00 -0.157695D-01  0.107190D+01
                76            77            78            79            80 
      1   0.149530D+01  0.121942D+00 -0.691235D+00  0.861492D+00 -0.174280D+00
      2   0.121942D+00  0.195773D+01  0.197436D+01 -0.174280D+00  0.179829D+01
      3  -0.691235D+00  0.197436D+01  0.333807D+01 -0.293736D+00  0.169034D+01
                81            82            83            84            85 
      1  -0.293736D+00  0.418741D+01 -0.627900D+00  0.171739D-01  0.894015D+01
      2   0.169034D+01 -0.627900D+00 -0.307552D+01 -0.855138D+00  0.550783D+00
      3   0.508458D+01  0.171739D-01 -0.855138D+00 -0.167849D+01  0.124549D+00
                86            87            88            89            90 
      1   0.550783D+00  0.124549D+00  0.317812D+01 -0.338645D+00 -0.197140D+01
      2   0.172785D+01 -0.789266D+00 -0.338645D+00 -0.176420D+01  0.312812D+01
      3  -0.789266D+00  0.148521D+01 -0.197140D+01  0.312812D+01  0.120130D+01
                91            92            93            94            95 
      1  -0.396332D+01 -0.550802D+00 -0.213100D+00  0.486918D+01  0.133220D+00
      2  -0.550802D+00  0.257796D+01 -0.285983D+00  0.133220D+00  0.104227D+01
      3  -0.213100D+00 -0.285983D+00  0.698373D+00 -0.425171D+00 -0.107445D+01
                96            97            98            99           100 
      1  -0.425171D+00  0.480266D+00 -0.891780D+00  0.198511D+01  0.560915D+01
      2  -0.107445D+01 -0.891780D+00 -0.134385D+01  0.350543D+01  0.442463D+00
      3   0.125946D+01  0.198511D+01  0.350543D+01  0.279965D+01 -0.639662D+00
               101           102           103           104           105 
      1   0.442463D+00 -0.639662D+00  0.142224D+01 -0.328152D+00 -0.133756D+01
      2   0.322970D+01  0.205794D+00 -0.328152D+00  0.346140D+00 -0.535304D+00
      3   0.205794D+00  0.223863D+01 -0.133756D+01 -0.535304D+00 -0.110777D+00
               106           107           108           109           110 
      1  -0.391308D-01 -0.141371D+01  0.518678D+01 -0.318396D+01 -0.578739D+00
      2  -0.141371D+01  0.152742D+00  0.350752D+00 -0.578739D+00  0.224565D+01
      3   0.518678D+01  0.350752D+00  0.929376D+00 -0.384094D+00  0.909873D+00
               111           112           113           114           115 
      1  -0.384094D+00 -0.584296D+01 -0.870978D+00 -0.110311D+01 -0.214246D+01
      2   0.909873D+00 -0.870978D+00 -0.103235D+01  0.124168D+01 -0.655871D+00
      3   0.164614D+01 -0.110311D+01  0.124168D+01 -0.133672D+01  0.285531D+01
               116           117           118           119           120 
      1  -0.655871D+00  0.285531D+01  0.531822D+01  0.250049D+01  0.516972D+00
      2   0.202802D+01 -0.300174D+01  0.250049D+01 -0.235459D+01 -0.825034D-01
      3  -0.300174D+01 -0.126397D+01  0.516972D+00 -0.825034D-01 -0.888812D+00
               121           122           123           124           125 
      1  -0.740672D+01 -0.892563D+00  0.477810D+00 -0.558807D+00  0.119488D+01
      2  -0.892563D+00 -0.172560D+01  0.123575D+01  0.119488D+01  0.107912D+01
      3   0.477810D+00  0.123575D+01 -0.110360D+01 -0.727990D+00 -0.307599D+01
               126           127           128           129           130 
      1  -0.727990D+00 -0.312963D+01  0.223078D+01  0.198483D+00  0.232013D+01
      2  -0.307599D+01  0.223078D+01 -0.280108D+01 -0.308257D+00 -0.283950D+01
      3  -0.305654D+01  0.198483D+00 -0.308257D+00 -0.357922D+00 -0.486028D+00
               131           132           133           134           135 
      1  -0.283950D+01 -0.486028D+00  0.957600D-01 -0.379444D+00 -0.644229D-01
      2   0.630712D+01  0.877642D+00 -0.379444D+00  0.114883D+01  0.275671D+00
      3   0.877642D+00  0.890171D+00 -0.644229D-01  0.275671D+00  0.187173D+00
               136           137           138           139           140 
      1   0.248425D+01  0.273705D+01  0.818645D+00  0.243966D+01  0.383735D+01
      2   0.273705D+01  0.295272D+01  0.809481D+00  0.383735D+01  0.904964D+01
      3   0.818645D+00  0.809481D+00  0.589611D+00  0.100125D+01  0.216793D+01
               141           142           143           144           145 
      1   0.100125D+01  0.761888D+00  0.115958D+01  0.371359D+00  0.133298D+02
      2   0.216793D+01  0.115958D+01  0.236229D+01  0.703725D+00  0.932900D+00
      3   0.139402D+01  0.371359D+00  0.703725D+00  0.444526D+00  0.125914D+01
               146           147           148           149           150 
      1   0.932900D+00  0.125914D+01  0.793324D+00  0.161833D+01  0.439024D+00
      2   0.839563D+00  0.661057D-01  0.161833D+01  0.355054D+00  0.178384D+00
      3   0.661057D-01  0.100755D+01  0.439024D+00  0.178384D+00  0.139535D+00
               151           152           153           154           155 
      1   0.138753D+01  0.445294D+00  0.263154D+00  0.459163D+01 -0.376202D+01
      2   0.445294D+00  0.116549D+00  0.293959D-01 -0.376202D+01  0.354147D+01
      3   0.263154D+00  0.293959D-01  0.211762D+00 -0.633556D+00  0.501573D+00
               156           157           158           159           160 
      1  -0.633556D+00 -0.362434D+01  0.445570D+01  0.924984D+00 -0.591320D+00
      2   0.501573D+00  0.445570D+01 -0.683303D+01 -0.121759D+01  0.725809D+00
      3   0.599400D+00  0.924984D+00 -0.121759D+01 -0.962443D+00  0.223587D+00
               161           162           163           164           165 
      1   0.725809D+00  0.223587D+00 -0.168644D+01 -0.180494D+01 -0.588554D+00
      2  -0.141364D+01 -0.386319D+00 -0.180494D+01 -0.211415D+01 -0.726559D+00
      3  -0.386319D+00 -0.264007D+00 -0.588554D+00 -0.726559D+00 -0.457474D+00
               166           167           168           169           170 
      1  -0.158870D+01 -0.214198D+01 -0.647816D+00 -0.759468D+00 -0.867903D+00
      2  -0.214198D+01 -0.773358D+01 -0.218486D+01 -0.867903D+00 -0.230880D+01
      3  -0.647816D+00 -0.218486D+01 -0.143856D+01 -0.210828D+00 -0.785492D+00
               171 
      1  -0.210828D+00
      2  -0.785492D+00
      3  -0.558654D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.446159D+00  0.674705D+00  0.101785D+01 -0.244157D+00 -0.365934D+01
      2   0.663183D+01 -0.948222D+00  0.144077D+01 -0.172155D+00  0.334884D+01
      3   0.153448D+02 -0.443802D+01  0.168335D+01  0.242791D+01  0.106139D+02
                 6             7             8             9            10 
      1  -0.448497D+01 -0.251640D+01  0.393444D+01  0.603286D+00 -0.171710D+01
      2  -0.305728D+01 -0.286654D+01 -0.456265D+00  0.316054D+01  0.323931D+01
      3  -0.508051D+01  0.688961D+00 -0.154472D+01  0.301488D+01  0.167132D+01
                11            12            13            14            15 
      1  -0.281495D+00 -0.124120D+00  0.121578D+01  0.256747D+01  0.165605D+01
      2   0.204353D+01 -0.243988D+01  0.333610D+01 -0.604287D+01 -0.559511D+01
      3   0.902282D+00 -0.369643D+00  0.117132D+02 -0.305637D+01  0.823398D+01
                16            17            18            19            20 
      1   0.512709D+01  0.511435D+01 -0.169476D+01 -0.601485D+00  0.806432D+00
      2  -0.163557D+02 -0.935520D+01 -0.640528D+00 -0.674763D+01  0.235356D+00
      3  -0.112739D+01  0.731749D+01  0.595595D+01 -0.957219D+01 -0.400489D+01
                21            22            23            24            25 
      1   0.834270D+00  0.531247D+00 -0.220801D+00 -0.552003D+00  0.679222D+00
      2   0.499679D+01  0.548727D-01 -0.959571D+00  0.913537D-01  0.133373D+01
      3   0.224307D+00 -0.118292D+01  0.384018D+00  0.390173D+00  0.180497D+00
                26            27            28            29            30 
      1   0.119247D+00 -0.366098D+00 -0.100051D+01  0.939569D-01 -0.106562D+01
      2  -0.451331D+00 -0.238323D-01  0.135549D+01  0.442070D+00  0.265191D+01
      3   0.400624D+00 -0.363287D+00 -0.248500D+01 -0.272566D+01 -0.209386D+00
                31            32            33            34            35 
      1  -0.305886D+00  0.122940D+01 -0.272672D+01 -0.142631D+01  0.107430D+01
      2  -0.473133D+00  0.444798D+01  0.553636D+01  0.530337D+00  0.425306D+01
      3   0.463001D+00 -0.759050D+01 -0.524238D+01  0.839488D+00 -0.530327D+01
                36            37            38            39            40 
      1  -0.257211D+01  0.387239D+01 -0.319421D+01 -0.152396D+01 -0.155008D+00
      2   0.726261D+01 -0.133021D+02 -0.480852D+01  0.855319D+01 -0.670786D+01
      3  -0.464033D+01 -0.355333D+01 -0.111575D+02  0.104050D+01 -0.482214D+01
                41            42            43            44            45 
      1   0.234126D+01 -0.105895D+02 -0.204336D+01 -0.507180D+01 -0.294182D+01
      2   0.108214D+02  0.603351D+01  0.631655D+01  0.720786D+01  0.404616D+01
      3   0.114774D+02 -0.115166D+02  0.156665D+01 -0.101195D+02 -0.546884D+01
                46            47            48            49            50 
      1  -0.202762D+00 -0.371247D+00 -0.241085D+00 -0.235469D+01 -0.364354D+01
      2  -0.301091D+01 -0.154916D+01 -0.124223D+01 -0.195129D+01  0.434257D+00
      3  -0.358835D+01  0.677784D+01  0.101479D+01  0.179933D+02  0.185634D+01
                51            52            53            54            55 
      1   0.715102D+00  0.881808D-03  0.980557D+01  0.233582D+01 -0.170359D+01
      2   0.761487D+00 -0.132491D+02  0.296777D+00  0.720017D+00 -0.220662D+01
      3  -0.153170D+01  0.848691D+00  0.102517D+01 -0.120471D+00 -0.505947D+01
                56            57            58            59            60 
      1   0.191880D+01  0.110878D+01  0.131681D+01 -0.583288D+01 -0.795126D+00
      2   0.262625D+01 -0.193060D+01  0.323684D+01 -0.744336D+01  0.464865D+01
      3   0.496755D+01 -0.161590D+01  0.666500D+01 -0.162523D+02  0.645541D+01
                61            62            63            64            65 
      1   0.554191D+00  0.219297D+01  0.365304D+00 -0.682297D+00 -0.150856D+01
      2  -0.242441D+01  0.330190D+01 -0.399395D+01  0.989061D+01  0.827661D+00
      3  -0.773292D+00  0.449689D+01 -0.397761D+01  0.629732D+01 -0.544207D+01
                66            67            68            69            70 
      1  -0.157700D+01 -0.136215D+01 -0.614657D+00 -0.224621D+00 -0.123909D+01
      2   0.661952D+01  0.168469D+01 -0.313460D+00  0.382057D+00  0.181973D+01
      3   0.307282D+00 -0.161332D+01 -0.214153D+01  0.146751D+01  0.140157D-01
                71            72            73            74            75 
      1   0.993447D+00 -0.103649D+00  0.146943D+01  0.142213D+01  0.573858D+00
      2  -0.285843D+00  0.901729D+00 -0.192194D+01 -0.882801D+00 -0.231199D+01
      3   0.597110D+00  0.150142D+01  0.192870D+01  0.967569D+00 -0.159877D+00
                76            77            78            79            80 
      1   0.500514D+00  0.534724D+01  0.373834D+01 -0.214619D+00  0.598717D+01
      2  -0.130963D+01 -0.569893D+01 -0.802081D+01 -0.266844D+01 -0.473216D+01
      3   0.159374D+01  0.534951D+01  0.566618D+01 -0.593618D+00  0.518365D+01
                81            82            83            84            85 
      1   0.645702D+01 -0.587237D+00  0.316127D+00  0.210451D+01 -0.835048D+00
      2  -0.122104D+02  0.227493D+01  0.264226D+00 -0.990739D+00  0.424562D+01
      3   0.512987D+01  0.259297D+01 -0.534896D+00  0.135268D+01  0.400186D+01
                86            87            88            89            90 
      1   0.300626D+00 -0.213559D+01  0.686449D+01  0.331504D+01  0.262450D+00
      2   0.116659D+01  0.648626D+00 -0.120997D+02 -0.365144D-01 -0.312097D+00
      3  -0.671381D+01  0.842156D+00 -0.812413D+00 -0.925600D+00 -0.575340D+01
                91            92            93            94            95 
      1   0.958250D+00  0.918362D+00 -0.114658D+01  0.143780D+01 -0.138311D+00
      2  -0.459205D+00  0.241619D+01  0.886026D+00  0.169143D+01 -0.319784D+01
      3  -0.241326D+00 -0.114906D+02 -0.267337D+01  0.415988D+01 -0.113313D+01
                96            97            98            99           100 
      1  -0.230321D+01 -0.516882D+01  0.103445D+01 -0.130173D+01  0.204099D+00
      2   0.328805D+01 -0.827741D+01  0.844436D+01  0.494453D+01  0.184245D+00
      3   0.200574D+01 -0.550308D+00  0.312081D+01 -0.426230D+01 -0.126187D+01
               101           102           103           104           105 
      1  -0.103227D+01 -0.790476D+00 -0.922039D+00 -0.311741D+01  0.101314D+01
      2  -0.125997D+00  0.606071D+01 -0.487772D+01 -0.198327D+00  0.183147D+00
      3  -0.679877D+01 -0.424397D-01  0.118321D+02  0.761163D+00  0.147327D+01
               106           107           108           109           110 
      1  -0.175659D+01  0.112897D+02  0.298846D+01 -0.862214D+00 -0.698111D+00
      2   0.738579D+01  0.185724D+01  0.173994D+01 -0.114344D+01  0.255609D+01
      3   0.461340D+01  0.132137D+01 -0.634195D-02  0.114848D+01 -0.117253D+02
               111           112           113           114           115 
      1   0.194253D+01 -0.185772D+01 -0.563198D-01 -0.195153D+01  0.700296D+01
      2   0.271627D+01 -0.131358D+01  0.372064D+01 -0.381535D+01 -0.468298D+01
      3  -0.244621D+01  0.589878D+01 -0.205045D+00 -0.232708D+01 -0.615642D+00
               116           117           118           119           120 
      1   0.303186D+01  0.172074D+01 -0.132576D+00  0.151999D+01 -0.145590D+01
      2  -0.101054D+02 -0.339264D+01  0.389393D+01  0.169682D+01 -0.374096D+00
      3  -0.457596D+01  0.384154D+01 -0.142911D+01 -0.252795D+01 -0.233188D+01
               121           122           123           124           125 
      1   0.162608D+01  0.516350D+00 -0.230207D+01 -0.538082D+01  0.172109D+01
      2   0.208481D+01 -0.104075D+01 -0.983303D+00 -0.137438D+02 -0.102645D+01
      3   0.151268D+01  0.727521D+01  0.133137D+00 -0.387474D+01 -0.105554D+01
               126           127           128           129           130 
      1  -0.548696D+00  0.425793D+00 -0.680182D+00  0.194643D+01  0.154834D+00
      2  -0.368409D+01  0.159366D+01 -0.782482D+00  0.374287D+00 -0.742140D+00
      3   0.514476D+01 -0.897429D+01  0.376722D+01  0.138262D+00  0.673163D+01
               131           132           133           134           135 
      1  -0.731721D-01 -0.316359D+01 -0.288387D+00  0.165549D+01 -0.161302D-01
      2   0.125497D+01 -0.867855D+00 -0.133207D+01  0.585126D+00 -0.352772D+00
      3  -0.538237D+01 -0.118083D+01 -0.240470D+00 -0.701110D+00 -0.104811D+00
               136           137           138           139           140 
      1  -0.248232D+00  0.372733D-01 -0.177588D+01 -0.204805D+00  0.573978D+00
      2   0.461472D+00  0.745410D+00  0.182459D+01  0.677695D+00  0.324373D+01
      3  -0.848918D+00 -0.255493D+01 -0.481446D+00 -0.157520D+01 -0.130523D+02
               141           142           143           144           145 
      1  -0.413945D+01  0.543311D+00  0.180168D+01 -0.737091D+00 -0.122863D+00
      2   0.354868D+01 -0.282957D+00  0.345045D+00  0.995561D+00  0.173061D+01
      3  -0.286343D+01 -0.578143D+00 -0.359266D+01 -0.817679D+00 -0.231054D+00
               146           147           148           149           150 
      1   0.466223D+00 -0.450833D+00  0.153640D+00  0.252683D-01 -0.343499D+00
      2  -0.678197D-01  0.624293D+01  0.164276D+01  0.382757D+00  0.717884D+00
      3  -0.520157D+01  0.155786D+00 -0.390361D+01 -0.850804D+00 -0.419004D+00
               151           152           153           154           155 
      1   0.198549D+00  0.463946D+00 -0.404490D-01  0.267476D+00 -0.698524D+00
      2  -0.209017D+01 -0.328098D-01  0.605497D+00  0.135185D+00 -0.142908D+00
      3  -0.113316D+01 -0.718325D+00 -0.148910D+00  0.153116D+01 -0.466585D+01
               156           157           158           159           160 
      1   0.212664D+01  0.285455D+00  0.304891D+00 -0.332116D+01 -0.871728D+00
      2   0.260329D+01  0.775263D+00 -0.156465D+01 -0.340200D+01 -0.459132D+00
      3  -0.224607D+00 -0.342119D+01  0.112501D+02  0.154772D+01 -0.110704D+01
               161           162           163           164           165 
      1   0.138823D+01 -0.428499D+00  0.217264D+00  0.290605D+00 -0.150343D+01
      2   0.338954D+00 -0.487369D+00 -0.188337D+01 -0.127928D+01 -0.224186D-01
      3   0.252836D+01  0.535116D+00  0.616182D+01  0.370918D+01  0.137117D+01
               166           167           168           169           170 
      1   0.303291D+00  0.883554D+00 -0.374788D+01  0.503814D+00  0.232511D+01
      2  -0.188257D+01 -0.236144D+01 -0.981129D-01 -0.202895D+01 -0.716232D+00
      3   0.670047D+01  0.797845D+01  0.266099D+01  0.265452D+01  0.254524D+01
               171 
      1  -0.715416D+00
      2   0.634648D-02
      3   0.540430D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.377968D+02  0.302617D+01  0.509145D-01 -0.622737D+01 -0.589985D+01
      2   0.205098D+02 -0.379382D+01 -0.142717D+01  0.637268D+00  0.132062D+02
      3   0.172870D+02  0.767648D+00  0.137625D+01  0.559010D+01 -0.730640D+01
      4   0.727986D+01  0.445093D+01 -0.161657D+01  0.184809D+02 -0.208600D+02
      5  -0.620312D+01 -0.163630D+01  0.579154D+01 -0.101946D+02  0.110926D+02
      6  -0.134297D+01 -0.153750D+00 -0.228908D+01  0.415402D+01 -0.639588D+01
                 6             7             8             9            10 
      1   0.592439D+00  0.148255D+01  0.256522D+01 -0.356522D+01  0.103831D+02
      2   0.175107D+01 -0.128961D+01 -0.179258D+01 -0.488345D+01 -0.228103D+01
      3  -0.234351D+01 -0.192937D+00 -0.772641D+00  0.844867D+01 -0.810205D+01
      4   0.118098D+02 -0.712739D+01  0.431839D+01 -0.579576D+01 -0.525361D+01
      5  -0.694077D+01  0.120398D+02 -0.627478D+01  0.925840D+01  0.575406D+01
      6   0.120191D+02 -0.155645D+01  0.752059D+01 -0.647725D+01  0.255904D+01
                11            12            13            14            15 
      1   0.978412D+00 -0.147089D+01  0.420147D+01 -0.345227D+00  0.650758D+01
      2   0.152840D+01 -0.767881D+00  0.208932D+01 -0.209962D+00 -0.108049D+02
      3  -0.250681D+01  0.223878D+01 -0.629079D+01  0.555190D+00  0.429737D+01
      4  -0.122168D+02  0.404121D+01 -0.233062D+02 -0.377751D+01 -0.174039D+02
      5   0.457652D+01 -0.147647D+02  0.134978D+02 -0.164578D+02 -0.132572D+02
      6   0.558898D+00 -0.161571D+01 -0.478323D+01 -0.562976D+01 -0.147431D+02
                16            17            18            19            20 
      1   0.117672D+02  0.755361D+01 -0.210890D+01  0.660660D+02 -0.998926D+01
      2  -0.100700D+02 -0.340496D+01  0.473806D+01 -0.345555D+02  0.416497D+01
      3  -0.169715D+01 -0.414865D+01 -0.262915D+01 -0.315105D+02  0.582429D+01
      4   0.131301D+02 -0.985882D+01 -0.200577D+02 -0.242315D+02  0.117058D+02
      5  -0.272137D+02 -0.185599D+02 -0.886013D+00  0.152673D+02 -0.362673D+01
      6  -0.119653D+02 -0.115219D+02 -0.868924D+00 -0.264234D+01  0.154562D+01
                21            22            23            24            25 
      1   0.447108D+01 -0.307069D-01  0.370399D+01  0.382029D+00 -0.121491D+01
      2  -0.350508D+01 -0.149766D+01 -0.604070D+00 -0.183960D+00 -0.122384D+00
      3  -0.965997D+00  0.152837D+01 -0.309992D+01 -0.198069D+00  0.133730D+01
      4  -0.316220D+01  0.804140D+01 -0.396533D+01  0.250241D+00  0.121086D+01
      5   0.879216D+01  0.167365D+00  0.803663D+00 -0.650965D+00  0.670449D+01
      6  -0.188526D+01  0.143560D+01 -0.392909D+00  0.167431D+01 -0.140373D+01
                26            27            28            29            30 
      1   0.958356D+00  0.329520D+01  0.316902D+01  0.230948D+01  0.303630D+01
      2   0.132474D+00 -0.266650D+01 -0.194639D+01 -0.107955D+01 -0.156078D+01
      3  -0.109083D+01 -0.628700D+00 -0.122263D+01 -0.122993D+01 -0.147552D+01
      4  -0.437112D+00 -0.194492D+01  0.801524D+01  0.899085D+01  0.381139D+01
      5  -0.163919D+01  0.251400D+01  0.630562D+01  0.379056D+01  0.976776D+01
      6   0.100764D+01 -0.370792D+00  0.468961D+01  0.177418D+01  0.261409D+01
                31            32            33            34            35 
      1   0.206861D+01 -0.730727D+01 -0.570969D+01  0.151451D+01 -0.618409D+01
      2  -0.782591D+00  0.762020D+01  0.393027D+01 -0.202037D+01  0.150090D+01
      3  -0.128601D+01 -0.312930D+00  0.177942D+01  0.505862D+00  0.468318D+01
      4   0.115541D+02  0.189696D+02  0.117198D+02  0.540162D+01  0.117706D+02
      5   0.517693D+01  0.110471D+02  0.127860D+02  0.129879D+02  0.117883D+02
      6   0.431892D+01  0.131322D+02  0.124527D+02  0.571948D+01  0.121766D+02
                36            37            38            39            40 
      1  -0.832898D+01 -0.625158D+02 -0.168036D+02  0.598717D+01 -0.147089D+02
      2  -0.332039D+01  0.256378D+02  0.124806D+02  0.512625D+00  0.804797D+01
      3   0.116494D+02  0.368781D+02  0.432308D+01 -0.649980D+01  0.666092D+01
      4   0.126886D+02 -0.217831D+02  0.816997D+01 -0.289510D+01  0.111486D+02
      5   0.183984D+02  0.872463D+01 -0.477333D+00  0.113128D+02 -0.650122D+01
      6   0.136952D+02  0.172796D+01 -0.717355D+01  0.421793D+01 -0.542548D+01
                41            42            43            44            45 
      1   0.218915D+02 -0.234218D+01 -0.579052D+01 -0.343810D+01  0.111737D+02
      2  -0.139690D+02  0.158850D+02  0.893897D+01  0.128403D+02 -0.434871D+01
      3  -0.792249D+01 -0.135429D+02 -0.314845D+01 -0.940219D+01 -0.682494D+01
      4  -0.674293D+01  0.130429D+02 -0.129333D+02  0.819472D+01  0.187242D+02
      5   0.866070D+01  0.146089D+02  0.235099D+02  0.167527D+02 -0.382499D+01
      6   0.727207D+01 -0.456847D+01  0.998901D+01 -0.587640D+00 -0.980875D+01
                46            47            48            49            50 
      1  -0.165881D+02 -0.795428D+00 -0.166491D+01  0.219742D+01 -0.632220D+01
      2   0.428829D+01  0.202206D+00  0.420396D+00 -0.393836D+01  0.104772D+02
      3   0.122998D+02  0.593222D+00  0.124451D+01  0.174094D+01 -0.415500D+01
      4   0.121015D+02  0.523760D+01 -0.110758D+00 -0.682074D+01 -0.276337D+01
      5  -0.825561D+01 -0.837185D+00  0.897006D+00 -0.476344D+01  0.123290D+01
      6  -0.389388D+01  0.595419D+00  0.102992D+01 -0.256210D+01  0.476331D+01
                51            52            53            54            55 
      1  -0.519982D+00 -0.935261D+01 -0.201255D+01 -0.897096D+01 -0.840717D+00
      2   0.589651D+01  0.138388D+01  0.342397D+01 -0.336040D+01  0.289812D+01
      3  -0.537653D+01  0.796873D+01 -0.141142D+01  0.123314D+02 -0.205740D+01
      4   0.841123D+00 -0.607828D+01  0.171016D+00  0.292050D+01  0.212113D+01
      5   0.143235D+01  0.450786D+01  0.229658D+01 -0.798975D+00  0.558023D+00
      6   0.288335D-01 -0.506403D-02  0.637260D+01 -0.340897D+01 -0.297207D+01
                56            57            58            59            60 
      1   0.101985D+02 -0.527433D+01  0.102896D+02 -0.238128D+02  0.986052D+01
      2  -0.860594D+01  0.189474D+01 -0.666378D+01  0.269220D+02 -0.699578D+01
      3  -0.159260D+01  0.337960D+01 -0.362586D+01 -0.310923D+01 -0.286474D+01
      4  -0.204681D+01  0.104317D+01  0.284931D+01  0.227524D+02 -0.941362D+01
      5  -0.596704D+00 -0.179691D+01 -0.360841D+01 -0.676127D+01  0.637668D+01
      6   0.556457D+01 -0.424007D+01  0.183764D+01 -0.189635D+02  0.118652D+02
                61            62            63            64            65 
      1  -0.206487D+01  0.756830D+01 -0.959544D+01  0.870423D+02  0.107274D+02
      2   0.468519D+00 -0.413731D+01  0.330160D+01 -0.427772D+02 -0.327260D+01
      3   0.159635D+01 -0.343099D+01  0.629384D+01 -0.442651D+02 -0.745484D+01
      4   0.900092D+00 -0.582972D+01  0.362595D+01  0.293454D+02  0.151078D+02
      5   0.699083D+00  0.349973D+01 -0.475134D+01 -0.234104D+02 -0.440486D+01
      6  -0.216626D+01  0.105572D+02 -0.697044D+01 -0.427857D+01 -0.292781D+01
                66            67            68            69            70 
      1  -0.279040D+01  0.697646D+01  0.582190D+01  0.479425D+00  0.756321D+01
      2   0.434311D+01 -0.105965D+01 -0.100212D+01 -0.123837D+01 -0.143970D+01
      3  -0.155271D+01 -0.591680D+01 -0.481978D+01  0.758947D+00 -0.612351D+01
      4  -0.289850D+01  0.154724D+02  0.804751D+01 -0.245650D+01  0.287560D+01
      5   0.133160D+02 -0.188122D+01 -0.344301D+01  0.795523D+00  0.942026D+01
      6   0.327743D+01 -0.234456D+01 -0.221408D+01  0.248482D+01  0.244439D+01
                71            72            73            74            75 
      1   0.872488D+00  0.587993D+01  0.369519D+01 -0.100512D+01 -0.599910D+01
      2  -0.715018D+00 -0.434870D+01 -0.335338D+01 -0.844125D-01  0.305326D+00
      3  -0.157470D+00 -0.153123D+01 -0.341812D+00  0.108953D+01  0.569378D+01
      4   0.986345D+00  0.937967D+00 -0.531096D+00 -0.119317D+01  0.146495D+00
      5   0.992784D-01 -0.676437D+00 -0.246048D+01  0.158737D+01 -0.610485D-01
      6   0.154635D+01  0.513203D+00  0.153655D+01  0.175736D+01 -0.345256D+00
                76            77            78            79            80 
      1  -0.442875D+01 -0.677309D+01 -0.549162D+01 -0.473793D+01 -0.384967D+01
      2   0.326445D+01 -0.560172D+00 -0.744639D+01  0.329470D+01 -0.614066D+01
      3   0.116429D+01  0.733326D+01  0.129380D+02  0.144323D+01  0.999034D+01
      4   0.413890D+00 -0.101275D+02 -0.962976D+01  0.196956D+00 -0.905041D+01
      5   0.633768D+01 -0.778877D+01 -0.145588D+02  0.585230D+01 -0.717177D+01
      6   0.133054D+00  0.689067D+01  0.712766D+01 -0.300706D+00  0.659508D+01
                81            82            83            84            85 
      1  -0.138461D+02  0.221303D+01  0.147769D+02  0.458051D+01 -0.619733D+01
      2  -0.122689D+02 -0.387380D+01 -0.105408D+02 -0.100456D+01  0.135987D+02
      3   0.261150D+02  0.166077D+01 -0.423612D+01 -0.357596D+01 -0.740135D+01
      4  -0.912795D+01  0.753392D+01 -0.126105D+02 -0.872870D+00  0.784826D+00
      5  -0.204341D+02  0.399040D+01 -0.160370D+01 -0.121708D+01  0.333443D+01
      6   0.479833D+01  0.239387D+01 -0.251701D+01 -0.430021D+01  0.829544D+01
                86            87            88            89            90 
      1   0.136319D+01  0.382405D+01 -0.734823D+00  0.620801D+01 -0.134936D+02
      2  -0.445850D+01 -0.354665D+01  0.581264D+01 -0.859491D+01  0.245294D+01
      3   0.309530D+01 -0.277402D+00 -0.507782D+01  0.238690D+01  0.110407D+02
      4   0.139715D+02  0.285653D+01  0.271142D+01  0.435915D+00  0.315718D+01
      5   0.285548D+01 -0.500492D-02  0.475250D+01  0.254321D+01 -0.149694D+01
      6  -0.532080D+01  0.442431D+01 -0.226984D+01  0.120429D+02  0.121781D+00
                91            92            93            94            95 
      1   0.654775D+01 -0.199981D+02 -0.262388D+01  0.228121D+02  0.113812D+02
      2  -0.602573D+01  0.130285D+02  0.863911D+00 -0.197242D+02 -0.136495D+02
      3  -0.522022D+00  0.696960D+01  0.175997D+01 -0.308783D+01  0.226835D+01
      4  -0.115060D+02 -0.599300D+01 -0.484960D+01  0.807074D+01 -0.475984D+01
      5  -0.656350D+01 -0.330626D+01 -0.135032D+01  0.656367D+00 -0.726738D+01
      6  -0.563904D+01 -0.200708D+01  0.274711D+01 -0.558828D+01 -0.113069D+02
                96            97            98            99           100 
      1   0.413353D+01  0.471276D+01 -0.334616D+00 -0.544103D+01 -0.136977D+02
      2  -0.664618D+01 -0.820650D+01 -0.862687D+01 -0.538331D+01  0.958817D+01
      3   0.251265D+01  0.349374D+01  0.896149D+01  0.108243D+02  0.410951D+01
      4  -0.669908D+01 -0.463825D+01 -0.114916D+02  0.129444D+02 -0.286511D+01
      5   0.693109D+01  0.116683D+02  0.133858D+02  0.990830D+01 -0.605885D+01
      6   0.280318D+01  0.553813D+01  0.124505D+02  0.344716D+01  0.153935D+01
               101           102           103           104           105 
      1  -0.244624D+01 -0.678284D+01  0.726383D+01 -0.196625D+02 -0.843342D+01
      2   0.203544D+01  0.363148D+01 -0.480065D+01  0.160112D+02  0.964751D+01
      3   0.410802D+00  0.315135D+01 -0.246318D+01  0.365124D+01 -0.121409D+01
      4   0.224927D+02  0.140808D+01 -0.170279D+02 -0.461584D+01 -0.428675D+01
      5   0.121205D+01  0.140556D+02 -0.132668D+02 -0.168771D+01 -0.146015D+00
      6   0.951957D+00  0.176405D+01 -0.323502D+01  0.350044D+01 -0.168159D+01
               106           107           108           109           110 
      1  -0.716770D+01 -0.951207D+01  0.137429D+02  0.154097D+01  0.214525D+02
      2   0.154180D+01  0.714502D+01 -0.160027D+02 -0.506513D+01 -0.128953D+02
      3   0.562590D+01  0.236705D+01  0.225989D+01  0.352417D+01 -0.855718D+01
      4  -0.140763D+02 -0.894062D+00  0.880836D+00  0.177220D+02  0.156942D+01
      5   0.332427D+02  0.241456D+01  0.493900D+01 -0.229688D-01  0.133440D+01
      6   0.838913D+00  0.468803D+01 -0.408730D+01  0.736261D+00 -0.218004D+01
               111           112           113           114           115 
      1   0.594086D+01 -0.254694D+02  0.411218D+01  0.435387D+00 -0.902004D+01
      2  -0.468619D+00  0.229752D+02 -0.767334D+01 -0.946756D+00  0.110261D+02
      3  -0.547224D+01  0.249416D+01  0.356116D+01  0.511369D+00 -0.200603D+01
      4   0.327236D+01  0.251100D+01  0.114584D+02  0.103283D+02 -0.589607D+00
      5   0.506984D+01 -0.634732D+01  0.869481D+01 -0.741928D+01  0.177103D+02
      6  -0.497541D+01  0.780065D+01 -0.646535D+01  0.417181D+01 -0.666517D+01
               116           117           118           119           120 
      1   0.560421D+01  0.197277D+01  0.856434D+01 -0.991667D+01 -0.115293D+00
      2  -0.910071D+01 -0.750441D+01 -0.622084D+01  0.820955D+01 -0.103314D+01
      3   0.349651D+01  0.553164D+01 -0.234351D+01  0.170712D+01  0.114843D+01
      4   0.106388D+02 -0.140616D+02 -0.991846D+01 -0.180595D+02 -0.442735D+01
      5  -0.143903D+02 -0.815878D+01  0.168533D+01 -0.317554D+01 -0.352106D+01
      6   0.115272D+02 -0.153282D+01 -0.213627D+01 -0.194455D+01  0.296463D+01
               121           122           123           124           125 
      1   0.331885D+01  0.857455D+01  0.618806D+01  0.334426D+01  0.369409D+01
      2  -0.101940D+02 -0.106245D+02 -0.756500D+01 -0.585465D+01 -0.106168D+02
      3   0.687516D+01  0.204994D+01  0.137694D+01  0.251038D+01  0.692274D+01
      4   0.119854D+02 -0.126146D+02 -0.247526D+01 -0.703571D+00 -0.430081D+01
      5  -0.128909D+01 -0.303893D+01 -0.397772D+00  0.132696D+01 -0.520027D+01
      6  -0.690270D+01 -0.114855D+02  0.153445D+01  0.160922D+01  0.110485D+02
               126           127           128           129           130 
      1  -0.146519D+02 -0.502807D+01  0.792975D+01  0.975734D+00  0.885442D+01
      2  -0.350481D+00  0.701144D+01 -0.110341D+02 -0.977325D+00 -0.115900D+02
      3   0.150024D+02 -0.198336D+01  0.310433D+01  0.159041D-02  0.273562D+01
      4  -0.671275D+01 -0.848805D+01  0.827934D+01  0.111947D+01  0.772023D+01
      5  -0.599198D+01 -0.805130D+00  0.132042D+01  0.116310D+01  0.118980D+01
      6   0.513046D+01  0.912580D+00 -0.123794D+01 -0.224644D+01 -0.231010D+01
               131           132           133           134           135 
      1  -0.224155D+02 -0.361567D+01  0.141273D+01 -0.388112D+01 -0.106366D+01
      2   0.300211D+02  0.314515D+01 -0.195997D+01  0.476223D+01  0.162974D+01
      3  -0.760560D+01  0.470523D+00  0.547235D+00 -0.881108D+00 -0.566078D+00
      4  -0.863389D+01 -0.101812D+01  0.106687D+01 -0.130506D+01 -0.175752D+01
      5  -0.141260D+01 -0.124152D+01  0.114973D+01 -0.824504D+00 -0.855935D+00
      6   0.490050D+01  0.533579D+01 -0.112405D+01  0.252723D+01  0.138933D+01
               136           137           138           139           140 
      1   0.616359D+01  0.533147D+01  0.127690D+01 -0.679791D+00 -0.142538D+02
      2   0.274972D+01  0.456983D+01  0.201816D+00  0.110043D+02  0.346154D+02
      3  -0.891331D+01 -0.990130D+01 -0.147872D+01 -0.103245D+02 -0.203616D+02
      4   0.200381D+02  0.239378D+02  0.600678D+01  0.247638D+02  0.463652D+02
      5   0.541877D+01  0.598520D+01  0.534840D+01  0.607546D+01  0.105172D+02
      6   0.396161D+01  0.452141D+01  0.333945D+01  0.607082D+01  0.138683D+02
               141           142           143           144           145 
      1  -0.357976D+01  0.446563D+00 -0.291700D+01 -0.232243D+01  0.100834D+03
      2   0.558382D+01  0.198100D+01  0.709234D+01  0.292031D+01 -0.572801D+02
      3  -0.200406D+01 -0.242756D+01 -0.417534D+01 -0.597876D+00 -0.435536D+02
      4   0.107383D+02  0.704222D+01  0.124846D+02  0.474808D+01  0.951248D+01
      5   0.684656D+01  0.277359D+01  0.419389D+01  0.303212D+01  0.124285D+02
      6   0.939165D+01  0.277052D+01  0.631778D+01  0.403115D+01 -0.244455D+01
               146           147           148           149           150 
      1   0.671360D+01  0.803326D+01  0.466397D+01  0.959557D+01  0.183032D+01
      2  -0.334746D+01 -0.546644D+01 -0.201159D+01 -0.465985D+01 -0.153095D+01
      3  -0.336614D+01 -0.256682D+01 -0.265238D+01 -0.493572D+01 -0.299367D+00
      4   0.894083D+01  0.441190D+00  0.153237D+02  0.303574D+01  0.149970D+01
      5   0.510785D+00  0.108765D+02  0.351182D+01  0.170789D+01  0.121688D+01
      6   0.385501D+00  0.259672D+00  0.105116D+01 -0.227176D+00  0.150375D+01
               151           152           153           154           155 
      1   0.101049D+02  0.213362D+01  0.437724D+01  0.195799D+02 -0.127598D+02
      2  -0.598110D+01 -0.123386D+01 -0.302559D+01 -0.265540D+01 -0.177742D+01
      3  -0.412376D+01 -0.899762D+00 -0.135165D+01 -0.169245D+02  0.145372D+02
      4   0.398836D+01  0.151666D+01  0.934371D+00 -0.321396D+02  0.303406D+02
      5   0.517931D+01  0.642612D+00  0.228027D+01 -0.611248D+01  0.440602D+01
      6   0.210324D+00  0.755485D+00  0.382084D+00  0.217863D+01 -0.196939D+01
               156           157           158           159           160 
      1  -0.252260D+01 -0.747726D+01  0.159614D+01  0.575190D+00 -0.487196D+00
      2   0.795125D+00 -0.748451D+01  0.188175D+02  0.128062D+01 -0.145276D+01
      3   0.172747D+01  0.149618D+02 -0.204137D+02 -0.185581D+01  0.193996D+01
      4   0.436196D+01  0.331122D+02 -0.451431D+02 -0.783959D+01  0.585829D+01
      5   0.592391D+01  0.674766D+01 -0.821014D+01 -0.627205D+01  0.278153D+01
      6  -0.311324D+01 -0.431694D+01  0.613376D+01  0.611866D+01 -0.214506D+01
               161           162           163           164           165 
      1  -0.334684D+00 -0.472524D+00 -0.553870D+01 -0.821523D+01 -0.320055D+01
      2   0.311691D+01  0.116114D+01  0.645471D+01  0.945456D+01  0.228850D+01
      3  -0.278223D+01 -0.688618D+00 -0.916010D+00 -0.123932D+01  0.912053D+00
      4  -0.781566D+01 -0.372379D+01  0.418296D+01  0.725138D+01  0.171480D+01
      5  -0.302148D+01 -0.183588D+01  0.119081D+01  0.147525D+01  0.171418D+01
      6   0.339981D+01  0.211095D+01  0.311424D+01  0.445621D+01  0.279639D+01
               166           167           168           169           170 
      1  -0.818467D+01 -0.308181D+02 -0.947219D+01 -0.273201D+01 -0.904998D+01
      2   0.964466D+01  0.388604D+02  0.849697D+01  0.299556D+01  0.999358D+01
      3  -0.145999D+01 -0.804228D+01  0.975222D+00 -0.263546D+00 -0.943599D+00
      4   0.526718D+01  0.539615D+00 -0.433124D+00  0.176427D+01  0.466248D+00
      5   0.115677D+01 -0.544835D+00 -0.104549D+00  0.125194D+01  0.601706D+00
      6   0.380207D+01  0.144747D+02  0.937470D+01  0.161777D+01  0.593137D+01
               171 
      1  -0.412602D+01
      2   0.371465D+01
      3   0.411377D+00
      4   0.161996D+01
      5   0.811875D+00
      6   0.443957D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:52:52 2021, MaxMem=  5368709120 cpu:            6187.8 elap:             774.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.14760 -10.24708 -10.19371 -10.18895 -10.18830
 Alpha  occ. eigenvalues --  -10.18779 -10.18725 -10.18658 -10.18327  -1.02102
 Alpha  occ. eigenvalues --   -0.85459  -0.77799  -0.74071  -0.72270  -0.64123
 Alpha  occ. eigenvalues --   -0.60642  -0.57754  -0.51873  -0.51465  -0.46558
 Alpha  occ. eigenvalues --   -0.45505  -0.44229  -0.43888  -0.42221  -0.39972
 Alpha  occ. eigenvalues --   -0.38941  -0.36619  -0.36037  -0.34504  -0.33319
 Alpha  occ. eigenvalues --   -0.29085  -0.25740  -0.24993
 Alpha virt. eigenvalues --   -0.01441  -0.01189   0.00718   0.03077   0.04390
 Alpha virt. eigenvalues --    0.04856   0.06245   0.06826   0.08079   0.09407
 Alpha virt. eigenvalues --    0.09562   0.10317   0.11620   0.12514   0.14078
 Alpha virt. eigenvalues --    0.14322   0.14667   0.15370   0.15696   0.16004
 Alpha virt. eigenvalues --    0.17472   0.17591   0.18659   0.19420   0.20352
 Alpha virt. eigenvalues --    0.20610   0.21228   0.23724   0.23961   0.25049
 Alpha virt. eigenvalues --    0.25351   0.25854   0.26520   0.26972   0.28051
 Alpha virt. eigenvalues --    0.28665   0.29503   0.29956   0.30880   0.31301
 Alpha virt. eigenvalues --    0.31804   0.32470   0.33071   0.33488   0.34557
 Alpha virt. eigenvalues --    0.34946   0.35411   0.35993   0.36872   0.37333
 Alpha virt. eigenvalues --    0.38147   0.38512   0.38538   0.39009   0.39613
 Alpha virt. eigenvalues --    0.40532   0.40707   0.40982   0.41251   0.41928
 Alpha virt. eigenvalues --    0.42402   0.42773   0.43071   0.43532   0.44253
 Alpha virt. eigenvalues --    0.44843   0.45421   0.47001   0.47270   0.47997
 Alpha virt. eigenvalues --    0.48589   0.49071   0.50302   0.50827   0.50973
 Alpha virt. eigenvalues --    0.52077   0.52910   0.53702   0.54703   0.54948
 Alpha virt. eigenvalues --    0.56852   0.57253   0.58383   0.59099   0.60566
 Alpha virt. eigenvalues --    0.60799   0.61386   0.62572   0.63498   0.64279
 Alpha virt. eigenvalues --    0.65079   0.66050   0.67238   0.67983   0.68316
 Alpha virt. eigenvalues --    0.69847   0.71133   0.72353   0.73302   0.74777
 Alpha virt. eigenvalues --    0.75378   0.76220   0.76925   0.78735   0.80182
 Alpha virt. eigenvalues --    0.81336   0.82051   0.83679   0.86920   0.87481
 Alpha virt. eigenvalues --    0.88217   0.93854   0.94182   0.95044   0.96024
 Alpha virt. eigenvalues --    0.97402   0.97709   0.98641   0.99174   1.00059
 Alpha virt. eigenvalues --    1.00909   1.03037   1.05140   1.06358   1.07487
 Alpha virt. eigenvalues --    1.08254   1.12031   1.12154   1.13057   1.13072
 Alpha virt. eigenvalues --    1.14938   1.15536   1.17078   1.19742   1.20793
 Alpha virt. eigenvalues --    1.21912   1.23723   1.23881   1.25779   1.28985
 Alpha virt. eigenvalues --    1.30036   1.30676   1.33416   1.37683   1.39038
 Alpha virt. eigenvalues --    1.40492   1.42018   1.45630   1.49443   1.50769
 Alpha virt. eigenvalues --    1.57682   1.58176   1.58904   1.59114   1.60342
 Alpha virt. eigenvalues --    1.62393   1.63184   1.66300   1.66882   1.69899
 Alpha virt. eigenvalues --    1.72266   1.74143   1.74987   1.77841   1.81615
 Alpha virt. eigenvalues --    1.83977   1.85352   1.87027   1.88768   1.90015
 Alpha virt. eigenvalues --    1.90605   1.92155   1.94665   1.95924   1.97894
 Alpha virt. eigenvalues --    1.99095   2.01925   2.02371   2.03066   2.04365
 Alpha virt. eigenvalues --    2.06457   2.08766   2.09370   2.11251   2.12673
 Alpha virt. eigenvalues --    2.15702   2.18282   2.21081   2.23174   2.23858
 Alpha virt. eigenvalues --    2.27932   2.30546   2.33367   2.36118   2.36413
 Alpha virt. eigenvalues --    2.38508   2.39598   2.41703   2.42999   2.44737
 Alpha virt. eigenvalues --    2.47413   2.48964   2.50484   2.53210   2.57033
 Alpha virt. eigenvalues --    2.58869   2.64255   2.66850   2.69477   2.75265
 Alpha virt. eigenvalues --    2.84256   2.84622   2.86289   2.86932   2.91807
 Alpha virt. eigenvalues --    2.98184   3.00783   3.02376   3.03938   3.07118
 Alpha virt. eigenvalues --    3.11042   3.12464   3.15280   3.17711   3.21866
 Alpha virt. eigenvalues --    3.25069   3.35914   3.56115   3.71403   3.95905
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.196119   0.122482   0.208576  -0.049069  -0.006087  -0.016956
     2  C    0.122482   5.735803   0.041801   0.081539   0.296425   0.246469
     3  H    0.208576   0.041801   0.573922  -0.015562  -0.022244  -0.015160
     4  H   -0.049069   0.081539  -0.015562   1.183720   0.020540  -0.120175
     5  C   -0.006087   0.296425  -0.022244   0.020540   4.099408   0.028871
     6  C   -0.016956   0.246469  -0.015160  -0.120175   0.028871   9.801273
     7  H   -0.005262   0.107108   0.001781  -0.023707   0.226523  -0.024166
     8  H    0.032549  -0.019900  -0.005094   0.015078   0.255620   0.010867
     9  H   -0.026514   0.189882   0.005626  -0.007260   0.273371  -0.106745
    10  C   -0.083175  -0.518084   0.022762   0.056833   0.003271  -0.705968
    11  C    0.038118   0.024860  -0.002031  -0.001009  -0.002476   0.405360
    12  C    0.002401   0.066603  -0.000273   0.000848   0.004011  -0.237958
    13  C    0.003057   0.057121  -0.000117   0.012817   0.002344   0.481017
    14  C   -0.008174  -0.562580   0.010639  -0.067468  -0.008894  -0.797628
    15  H   -0.058693  -0.185680   0.007565   0.003354   0.000483  -1.075085
    16  H    0.004791   0.001747  -0.000298   0.000253   0.001014  -0.007369
    17  H   -0.000692  -0.005170   0.000009  -0.000039  -0.000365   0.167012
    18  H    0.000820   0.009550  -0.000019  -0.001444   0.000983   0.061452
    19  H    0.000356  -0.367557   0.002480  -0.000304   0.004545  -1.083848
               7          8          9         10         11         12
     1  O   -0.005262   0.032549  -0.026514  -0.083175   0.038118   0.002401
     2  C    0.107108  -0.019900   0.189882  -0.518084   0.024860   0.066603
     3  H    0.001781  -0.005094   0.005626   0.022762  -0.002031  -0.000273
     4  H   -0.023707   0.015078  -0.007260   0.056833  -0.001009   0.000848
     5  C    0.226523   0.255620   0.273371   0.003271  -0.002476   0.004011
     6  C   -0.024166   0.010867  -0.106745  -0.705968   0.405360  -0.237958
     7  H    0.807825   0.029735  -0.027639  -0.011249  -0.001363   0.000146
     8  H    0.029735   0.737307  -0.044350   0.004155  -0.000710  -0.000145
     9  H   -0.027639  -0.044350   0.812582   0.017268  -0.002703  -0.000323
    10  C   -0.011249   0.004155   0.017268   7.912599  -0.718088   0.579550
    11  C   -0.001363  -0.000710  -0.002703  -0.718088   7.052315  -0.108384
    12  C    0.000146  -0.000145  -0.000323   0.579550  -0.108384   6.575132
    13  C   -0.000327  -0.000324  -0.000521  -0.109497   0.689581  -0.162773
    14  C   -0.015669   0.003057   0.009070   0.023044  -0.161279   0.591525
    15  H   -0.007465   0.000173   0.014239   0.272322  -0.616304  -0.101248
    16  H    0.000420  -0.000008  -0.001055  -0.443340   0.021723  -0.517871
    17  H   -0.000013   0.000004   0.000047  -0.019870  -0.474594   0.148706
    18  H   -0.001041  -0.000005   0.000074   0.154145  -0.075888  -0.562068
    19  H    0.005536   0.001274   0.002202   0.042924   0.194452  -0.084216
              13         14         15         16         17         18
     1  O    0.003057  -0.008174  -0.058693   0.004791  -0.000692   0.000820
     2  C    0.057121  -0.562580  -0.185680   0.001747  -0.005170   0.009550
     3  H   -0.000117   0.010639   0.007565  -0.000298   0.000009  -0.000019
     4  H    0.012817  -0.067468   0.003354   0.000253  -0.000039  -0.001444
     5  C    0.002344  -0.008894   0.000483   0.001014  -0.000365   0.000983
     6  C    0.481017  -0.797628  -1.075085  -0.007369   0.167012   0.061452
     7  H   -0.000327  -0.015669  -0.007465   0.000420  -0.000013  -0.001041
     8  H   -0.000324   0.003057   0.000173  -0.000008   0.000004  -0.000005
     9  H   -0.000521   0.009070   0.014239  -0.001055   0.000047   0.000074
    10  C   -0.109497   0.023044   0.272322  -0.443340  -0.019870   0.154145
    11  C    0.689581  -0.161279  -0.616304   0.021723  -0.474594  -0.075888
    12  C   -0.162773   0.591525  -0.101248  -0.517871   0.148706  -0.562068
    13  C    6.937582  -0.773402   0.175101  -0.072072  -0.486954   0.072554
    14  C   -0.773402   8.058819   0.099226   0.157472  -0.015294  -0.498567
    15  H    0.175101   0.099226   2.543769  -0.610333   0.065147  -0.020711
    16  H   -0.072072   0.157472  -0.610333   2.601252  -0.585728   0.069441
    17  H   -0.486954  -0.015294   0.065147  -0.585728   2.523245  -0.613233
    18  H    0.072554  -0.498567  -0.020711   0.069441  -0.613233   2.657110
    19  H   -0.616191   0.524117   0.053612  -0.021941   0.069642  -0.620239
              19
     1  O    0.000356
     2  C   -0.367557
     3  H    0.002480
     4  H   -0.000304
     5  C    0.004545
     6  C   -1.083848
     7  H    0.005536
     8  H    0.001274
     9  H    0.002202
    10  C    0.042924
    11  C    0.194452
    12  C   -0.084216
    13  C   -0.616191
    14  C    0.524117
    15  H    0.053612
    16  H   -0.021941
    17  H    0.069642
    18  H   -0.620239
    19  H    2.662253
 Mulliken charges:
               1
     1  O   -0.354648
     2  C    0.677581
     3  H    0.185635
     4  H   -0.088945
     5  C    0.822657
     6  C   -1.011264
     7  H   -0.061175
     8  H   -0.019283
     9  H   -0.107251
    10  C   -0.479604
    11  C   -0.261579
    12  C   -0.193666
    13  C   -0.208997
    14  C   -0.568015
    15  H    0.440528
    16  H    0.401900
    17  H    0.228138
    18  H    0.367085
    19  H    0.230901
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.169013
     2  C    0.588636
     5  C    0.634949
     6  C   -1.011264
    10  C   -0.039076
    11  C    0.140321
    12  C    0.034472
    13  C    0.158088
    14  C   -0.337114
 Electronic spatial extent (au):  <R**2>=           1266.8253
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0925    Y=             -1.2268    Z=              0.6082  Tot=              1.7517
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -45.5991   YY=            -53.1513   ZZ=            -58.3536
   XY=              1.5782   XZ=              0.0279   YZ=              2.6096
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              6.7689   YY=             -0.7833   ZZ=             -5.9856
   XY=              1.5782   XZ=              0.0279   YZ=              2.6096
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -30.0024  YYY=              1.8600  ZZZ=             -1.2059  XYY=              1.7449
  XXY=              2.3413  XXZ=             -1.9771  XZZ=             -7.0867  YZZ=             -0.3196
  YYZ=              0.4262  XYZ=              0.4790
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1017.1426 YYYY=           -367.3600 ZZZZ=           -170.4628 XXXY=            -28.9616
 XXXZ=             30.0358 YYYX=             -5.7229 YYYZ=              7.6188 ZZZX=              4.0466
 ZZZY=             -0.5720 XXYY=           -252.2174 XXZZ=           -238.2204 YYZZ=            -95.1657
 XXYZ=              5.3896 YYXZ=              1.6680 ZZXY=             -0.0925
 N-N= 4.258582215547D+02 E-N=-1.746866753039D+03  KE= 3.816016664717D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:52:52 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.53321986D-01-4.49613410D-01 2.20954456D-01
 Polarizability= 1.21709584D+02 1.23939462D+00 9.77839299D+01
                 1.42346116D+00 6.58963769D+00 6.53077565D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.7160   -0.7155        0.5684    0.5680
 2      0.7160    0.7155       -3.2664   -3.2670      -12.9989  -12.9948
 3     -0.5684   -0.5680       29.5169   29.5135        3.2666    3.2670
 4      3.2664    3.2670       -0.0000    0.0000       -0.5679   -0.5680
 5    -16.5180  -16.5188        0.5679    0.5680       -0.7147   -0.7155
 6     -3.2666   -3.2670        0.7147    0.7155       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.1464    2.1464        1.7041    1.7041
 2      9.8010    9.8010        0.0000    0.0000        1.7041    1.7041
 3      9.8010    9.8010        2.1464    2.1464        0.0000    0.0000
 4      2.1464    2.1464       -9.8010   -9.8010      -38.9843  -38.9843
 5     -1.7041   -1.7041       88.5406   88.5406        9.8010    9.8010
 6    -49.5563  -49.5563        1.7041    1.7041       -2.1464   -2.1464
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0109    0.0000        2.8797    2.8619       -2.2486   -2.2722
 2     -2.8640   -2.8619       13.1323   13.0680       52.0113   51.9791
 3      2.1510    2.2722     -118.0876 -118.0541      -13.0686  -13.0680
 4    -13.0666  -13.0680       -0.0120    0.0000        2.2519    2.2722
 5     66.0542   66.0750       -2.2772   -2.2722        2.9380    2.8619
 6     13.0602   13.0680       -3.1176   -2.8619        0.0279    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0664    0.0000        0.6022    0.6614      -10.5340  -10.5509
 2     -0.7162   -0.6614      -43.6312  -43.6758      -30.8931  -30.9672
 3     10.5873   10.5509      -24.4265  -24.4050       43.5195   43.6758
 4     43.4944   43.6758        0.0335    0.0000       10.5260   10.5509
 5     55.4251   55.3723      -10.8083  -10.5509        0.6156    0.6614
 6    -43.5926  -43.6758       -0.6144   -0.6614        0.0694    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     22.5989   22.7796        2.7589    2.6616       20.9344   20.9738
 2     87.0453   87.3298       -5.7328   -5.8154       20.9308   20.9738
 3     87.0314   87.3298        2.7335    2.6616       18.8034   18.8266
 4      8.3670    8.4770      -64.6990  -64.5502      -38.5254  -38.5613
 5     -2.1232   -2.1472      -46.9373  -46.8122       64.4350   64.5502
 6     85.3187   85.3736        1.7808    2.1472       -8.4662   -8.4770
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.6511   -1.4476   -0.6406    0.0002    0.0005    0.0010
 Low frequencies ---   33.5755  131.6374  217.9885
 Diagonal vibrational polarizability:
        7.4278117       8.9598661      77.3602705
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     33.5615               131.6371               217.9884
 Red. masses --      3.5907                 3.4745                 2.4037
 Frc consts  --      0.0024                 0.0355                 0.0673
 IR Inten    --      1.3167                 3.6066                 2.3221
 RamAct Fr= 1--      3.6280                 3.8480                 0.2037
  Dep-P Fr= 1--      0.7500                 0.7313                 0.5064
  Dep-U Fr= 1--      0.8571                 0.8448                 0.6724
 Alpha2 Fr= 1--      0.0000                 0.0012                 0.0010
 Beta2  Fr= 1--      0.5183                 0.5418                 0.0228
 AlphaG Fr= 1--      0.0000                 0.0022                -0.0017
 Gamma2 Fr= 1--     -0.6255                -0.4957                -0.1479
 Delta2 Fr= 1--     -0.6962                -0.2200                -0.0432
 Raman1 Fr= 1--      14.512                 15.392                  0.815
 ROA1   Fr= 1--     -82.327                -54.627                -15.581
 CID1   Fr= 1--      -5.673                 -3.549                -19.127
 Raman2 Fr= 1--       6.219                  6.502                  0.274
 ROA2   Fr= 1--      -9.443                -10.136                 -3.203
 CID2   Fr= 1--      -1.518                 -1.559                -11.697
 Raman3 Fr= 1--      12.439                 13.003                  0.548
 ROA3   Fr= 1--     -82.327                -54.627                -15.581
 CID3   Fr= 1--      -6.619                 -4.201                -28.448
 RC180  Fr= 1--       0.714                  0.690                  0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.11   0.19    -0.12  -0.02   0.02     0.15   0.08   0.07
     2   6     0.00   0.05  -0.05    -0.01   0.02  -0.04    -0.02  -0.02  -0.01
     3   1    -0.02   0.07   0.15    -0.10  -0.04   0.24     0.14   0.23   0.14
     4   1     0.01   0.19  -0.19    -0.09  -0.02   0.01    -0.16   0.02  -0.02
     5   6     0.00  -0.21  -0.14     0.25   0.03   0.08    -0.00   0.06   0.03
     6   6     0.00   0.03  -0.02    -0.00   0.05  -0.18    -0.01  -0.13  -0.06
     7   1     0.01  -0.26  -0.32     0.34   0.06   0.03    -0.32  -0.14  -0.15
     8   1     0.01  -0.20  -0.17     0.23  -0.02   0.30    -0.07   0.48   0.18
     9   1    -0.01  -0.36  -0.01     0.37   0.06   0.02     0.39  -0.11   0.08
    10   6     0.03   0.06  -0.16    -0.00   0.04  -0.14    -0.09  -0.09  -0.06
    11   6     0.03   0.04  -0.15    -0.02  -0.03   0.06    -0.12   0.02  -0.01
    12   6     0.00  -0.01   0.01    -0.04  -0.07   0.20    -0.05   0.07   0.03
    13   6    -0.03  -0.04   0.15    -0.04  -0.03   0.06     0.05   0.03   0.01
    14   6    -0.03  -0.02   0.14    -0.02   0.03  -0.14     0.06  -0.08  -0.04
    15   1     0.05   0.09  -0.27     0.01   0.05  -0.19    -0.16  -0.14  -0.09
    16   1     0.06   0.06  -0.26    -0.01  -0.05   0.14    -0.20   0.05  -0.00
    17   1     0.00  -0.03   0.02    -0.06  -0.13   0.39    -0.06   0.14   0.08
    18   1    -0.05  -0.08   0.27    -0.05  -0.06   0.14     0.12   0.08   0.04
    19   1    -0.05  -0.04   0.25    -0.03   0.05  -0.19     0.14  -0.12  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    258.1857               272.1735               307.8811
 Red. masses --      1.0669                 1.3228                 3.0656
 Frc consts  --      0.0419                 0.0577                 0.1712
 IR Inten    --     96.3890                 8.1811                 1.1234
 RamAct Fr= 1--      1.5114                 0.2651                 1.4400
  Dep-P Fr= 1--      0.7129                 0.7068                 0.2401
  Dep-U Fr= 1--      0.8324                 0.8282                 0.3872
 Alpha2 Fr= 1--      0.0010                 0.0002                 0.0175
 Beta2  Fr= 1--      0.2097                 0.0366                 0.0929
 AlphaG Fr= 1--     -0.0030                 0.0012                 0.0000
 Gamma2 Fr= 1--      0.6622                 0.3178                -0.4289
 Delta2 Fr= 1--      0.2519                -0.0930                 0.0112
 Raman1 Fr= 1--       6.045                  1.060                  5.760
 ROA1   Fr= 1--      71.637                 27.535                -40.814
 CID1   Fr= 1--      11.850                 25.970                 -7.086
 Raman2 Fr= 1--       2.516                  0.439                  1.115
 ROA2   Fr= 1--      13.878                  8.372                -10.383
 CID2   Fr= 1--       5.516                 19.069                 -9.311
 Raman3 Fr= 1--       5.032                  0.878                  2.230
 ROA3   Fr= 1--      71.637                 27.535                -40.814
 CID3   Fr= 1--      14.236                 31.358                -18.301
 RC180  Fr= 1--       0.665                  0.656                 -0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.02  -0.03    -0.06  -0.05  -0.07     0.07   0.06  -0.09
     2   6    -0.00  -0.00  -0.01     0.00   0.00  -0.01     0.02   0.04  -0.09
     3   1     0.03   0.29   0.92    -0.04  -0.01   0.20     0.08   0.18   0.09
     4   1    -0.00  -0.01  -0.00     0.05  -0.03   0.01    -0.00   0.06  -0.10
     5   6    -0.04   0.02  -0.02     0.02  -0.02  -0.01     0.24  -0.03  -0.03
     6   6     0.01  -0.01   0.00     0.00   0.04   0.03    -0.03  -0.01   0.02
     7   1     0.03   0.08   0.07    -0.35  -0.28  -0.33     0.52   0.09  -0.07
     8   1    -0.02  -0.10  -0.09    -0.06   0.48   0.15     0.25  -0.28   0.16
     9   1    -0.16   0.08  -0.05     0.47  -0.31   0.15     0.23   0.03  -0.08
    10   6     0.01  -0.01  -0.00     0.03   0.03   0.05    -0.08  -0.03   0.14
    11   6     0.00   0.00  -0.00     0.04   0.00   0.01    -0.08  -0.01   0.04
    12   6     0.01   0.01   0.00     0.02  -0.01  -0.03    -0.08   0.03  -0.14
    13   6     0.02   0.00   0.00    -0.02  -0.00   0.01    -0.07  -0.02   0.03
    14   6     0.02  -0.01   0.00    -0.02   0.03   0.04    -0.08  -0.05   0.14
    15   1    -0.00  -0.01  -0.01     0.05   0.04   0.07    -0.11  -0.06   0.21
    16   1    -0.00   0.01  -0.01     0.07  -0.01  -0.00    -0.07  -0.01   0.04
    17   1     0.01   0.01  -0.00     0.02  -0.03  -0.07    -0.06   0.07  -0.33
    18   1     0.02   0.01   0.00    -0.04  -0.02  -0.00    -0.06  -0.02   0.04
    19   1     0.03  -0.01  -0.00    -0.05   0.04   0.04    -0.11  -0.07   0.23
                      7                      8                      9
                      A                      A                      A
 Frequencies --    376.0551               413.8222               482.0566
 Red. masses --      4.2985                 2.9661                 3.3005
 Frc consts  --      0.3582                 0.2993                 0.4519
 IR Inten    --      6.2454                 0.2157                 1.6721
 RamAct Fr= 1--      1.4413                 0.0188                 2.9439
  Dep-P Fr= 1--      0.4905                 0.7488                 0.0929
  Dep-U Fr= 1--      0.6582                 0.8563                 0.1701
 Alpha2 Fr= 1--      0.0074                 0.0000                 0.0524
 Beta2  Fr= 1--      0.1581                 0.0027                 0.0834
 AlphaG Fr= 1--     -0.0063                -0.0002                -0.0015
 Gamma2 Fr= 1--      0.1756                -0.2024                 0.2048
 Delta2 Fr= 1--     -0.0231                -0.0282                -0.0355
 Raman1 Fr= 1--       5.765                  0.075                 11.775
 ROA1   Fr= 1--      16.115                -20.331                 18.530
 CID1   Fr= 1--       2.795               -269.967                  1.574
 Raman2 Fr= 1--       1.897                  0.032                  1.001
 ROA2   Fr= 1--       4.398                 -4.632                  5.200
 CID2   Fr= 1--       2.318               -143.639                  5.193
 Raman3 Fr= 1--       3.795                  0.064                  2.003
 ROA3   Fr= 1--      16.115                -20.331                 18.530
 CID3   Fr= 1--       4.247               -315.256                  9.254
 RC180  Fr= 1--       0.316                  0.713                 -0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.28  -0.05  -0.11    -0.00   0.00   0.01     0.06  -0.14   0.18
     2   6     0.06  -0.04   0.13     0.01  -0.00  -0.00     0.17  -0.11  -0.08
     3   1     0.27   0.28   0.11    -0.00  -0.02  -0.01     0.07  -0.27   0.14
     4   1     0.12  -0.10   0.17     0.02  -0.00  -0.01     0.24  -0.08  -0.12
     5   6    -0.01  -0.15   0.09     0.00   0.01  -0.01     0.03   0.12  -0.12
     6   6    -0.02   0.08   0.10     0.00  -0.00  -0.00     0.06   0.07  -0.03
     7   1     0.04  -0.17  -0.05     0.00   0.01   0.01    -0.27   0.10   0.22
     8   1     0.01  -0.22   0.01     0.00   0.01  -0.01     0.00   0.38  -0.27
     9   1    -0.08  -0.28   0.22    -0.01   0.02  -0.02     0.04   0.32  -0.30
    10   6    -0.02   0.13  -0.06    -0.02  -0.05   0.21    -0.03   0.10   0.02
    11   6    -0.02   0.05  -0.06     0.02   0.05  -0.20    -0.04   0.03   0.04
    12   6    -0.12  -0.05   0.10    -0.00   0.00  -0.00    -0.11  -0.02  -0.05
    13   6    -0.13  -0.00  -0.06    -0.02  -0.05   0.20    -0.08  -0.05  -0.00
    14   6    -0.11   0.08  -0.09     0.02   0.05  -0.20    -0.06   0.01   0.01
    15   1    -0.00   0.16  -0.16    -0.05  -0.11   0.44    -0.06   0.07   0.04
    16   1     0.06   0.03  -0.13     0.04   0.11  -0.44     0.05  -0.02   0.08
    17   1    -0.13  -0.14   0.22    -0.00   0.00  -0.01    -0.11  -0.04  -0.09
    18   1    -0.15  -0.00  -0.12    -0.04  -0.11   0.44    -0.07  -0.05   0.03
    19   1    -0.19   0.16  -0.21     0.04   0.11  -0.43    -0.17   0.05   0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --    544.1089               612.4865               638.1807
 Red. masses --      3.1831                 3.5630                 6.3810
 Frc consts  --      0.5552                 0.7875                 1.5312
 IR Inten    --     11.8020                14.4152                 0.1608
 RamAct Fr= 1--      0.7748                 0.8756                 4.2511
  Dep-P Fr= 1--      0.2413                 0.7497                 0.7469
  Dep-U Fr= 1--      0.3888                 0.8569                 0.8551
 Alpha2 Fr= 1--      0.0094                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0502                 0.1251                 0.6059
 AlphaG Fr= 1--     -0.0027                 0.0002                -0.0027
 Gamma2 Fr= 1--      0.0716                 0.1120                -0.0113
 Delta2 Fr= 1--     -0.0371                 0.0656                -0.0314
 Raman1 Fr= 1--       3.099                  3.502                 17.004
 ROA1   Fr= 1--       5.686                 12.847                 -2.092
 CID1   Fr= 1--       1.835                  3.668                 -0.123
 Raman2 Fr= 1--       0.603                  1.501                  7.270
 ROA2   Fr= 1--       2.016                  2.162                 -0.020
 CID2   Fr= 1--       3.346                  1.441                 -0.003
 Raman3 Fr= 1--       1.205                  3.001                 14.541
 ROA3   Fr= 1--       5.686                 12.847                 -2.092
 CID3   Fr= 1--       4.719                  4.280                 -0.144
 RC180  Fr= 1--      -0.222                  0.714                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08   0.03   0.00    -0.10   0.04  -0.07    -0.00   0.03  -0.01
     2   6     0.05   0.05  -0.04     0.17   0.18   0.16     0.00   0.01   0.02
     3   1    -0.07  -0.15   0.03    -0.07  -0.24   0.03    -0.00   0.04   0.01
     4   1     0.16   0.10  -0.11     0.17   0.10   0.23     0.02   0.01   0.02
     5   6     0.09   0.06  -0.09    -0.01  -0.00   0.02    -0.01  -0.00   0.02
     6   6     0.01  -0.08   0.27     0.17  -0.02  -0.03    -0.01   0.14   0.03
     7   1     0.12   0.08  -0.08    -0.08  -0.10  -0.18    -0.00  -0.01  -0.01
     8   1     0.08   0.07   0.00     0.03  -0.04  -0.35    -0.01  -0.01   0.01
     9   1     0.16   0.09  -0.14    -0.29  -0.26   0.33    -0.02  -0.03   0.04
    10   6    -0.03  -0.02   0.04    -0.01   0.03  -0.03    -0.26   0.19   0.01
    11   6    -0.03   0.03  -0.13    -0.06   0.08   0.05    -0.23  -0.25  -0.07
    12   6    -0.06  -0.04   0.18    -0.17   0.02  -0.06     0.01  -0.14  -0.05
    13   6     0.03   0.00  -0.13     0.02  -0.11   0.01     0.28  -0.22  -0.02
    14   6     0.01  -0.06   0.03     0.04  -0.17  -0.07     0.22   0.22   0.06
    15   1    -0.05   0.01  -0.26    -0.18  -0.11   0.01    -0.13   0.27   0.06
    16   1     0.01   0.11  -0.46     0.00   0.01   0.17    -0.07  -0.33  -0.04
    17   1    -0.07  -0.02   0.21    -0.17   0.05  -0.03    -0.04   0.28   0.06
    18   1     0.10   0.11  -0.46     0.18  -0.02   0.16     0.14  -0.32  -0.02
    19   1     0.03   0.02  -0.25    -0.05  -0.15   0.01     0.06   0.28   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    714.0894               771.8462               778.9327
 Red. masses --      1.7591                 2.3856                 2.4142
 Frc consts  --      0.5285                 0.8373                 0.8630
 IR Inten    --     43.4969                25.5991                 7.1912
 RamAct Fr= 1--      0.1085                 7.6764                 7.9242
  Dep-P Fr= 1--      0.0966                 0.0394                 0.0635
  Dep-U Fr= 1--      0.1762                 0.0757                 0.1194
 Alpha2 Fr= 1--      0.0019                 0.1555                 0.1516
 Beta2  Fr= 1--      0.0032                 0.0969                 0.1577
 AlphaG Fr= 1--     -0.0003                -0.0382                 0.0185
 Gamma2 Fr= 1--     -0.0233                 0.6365                 0.7228
 Delta2 Fr= 1--      0.0193                 0.3240                 0.0449
 Raman1 Fr= 1--       0.434                 30.705                 31.697
 ROA1   Fr= 1--      -1.620                 71.469                 70.825
 CID1   Fr= 1--      -3.732                  2.328                  2.234
 Raman2 Fr= 1--       0.038                  1.163                  1.892
 ROA2   Fr= 1--      -0.714                 12.684                 16.989
 CID2   Fr= 1--     -18.668                 10.909                  8.977
 Raman3 Fr= 1--       0.076                  2.325                  3.785
 ROA3   Fr= 1--      -1.620                 71.469                 70.825
 CID3   Fr= 1--     -21.176                 30.733                 18.713
 RC180  Fr= 1--      -0.648                 -0.849                 -0.761
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00  -0.00     0.00  -0.02   0.00    -0.02   0.04  -0.01
     2   6     0.00  -0.00   0.00     0.06   0.05   0.06    -0.10  -0.08  -0.08
     3   1     0.00   0.00   0.01     0.01  -0.12   0.03    -0.03   0.16  -0.04
     4   1    -0.02  -0.01   0.02     0.15   0.03   0.06    -0.03   0.03  -0.20
     5   6    -0.00  -0.00   0.00     0.05   0.05  -0.07    -0.05  -0.04   0.02
     6   6     0.01   0.03  -0.10    -0.06  -0.05   0.17     0.04  -0.03   0.14
     7   1    -0.02  -0.01   0.00     0.06   0.03  -0.15     0.07   0.05   0.15
     8   1     0.00   0.00  -0.03     0.07   0.02  -0.15    -0.09  -0.04   0.41
     9   1    -0.03  -0.01   0.02    -0.00  -0.03   0.01     0.22   0.14  -0.20
    10   6    -0.01  -0.01   0.07    -0.02  -0.08  -0.10     0.04   0.12  -0.02
    11   6     0.01   0.04  -0.14    -0.04  -0.09  -0.02     0.05   0.12   0.04
    12   6    -0.01  -0.02   0.07     0.09   0.04  -0.11    -0.09   0.01  -0.10
    13   6     0.01   0.03  -0.14    -0.05   0.08   0.03     0.05  -0.09  -0.02
    14   6    -0.01  -0.02   0.07    -0.03   0.07  -0.07     0.05  -0.06  -0.07
    15   1    -0.05  -0.10   0.48     0.01  -0.07   0.01    -0.02   0.08  -0.01
    16   1    -0.01  -0.05   0.19    -0.22  -0.15   0.44     0.17  -0.03   0.35
    17   1    -0.06  -0.14   0.55     0.03  -0.09   0.48    -0.13  -0.12   0.35
    18   1    -0.02  -0.06   0.21    -0.18  -0.10   0.46     0.13  -0.11   0.37
    19   1    -0.05  -0.13   0.50     0.02   0.01   0.06    -0.03  -0.06   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    859.6268               906.9440               927.8562
 Red. masses --      1.2499                 2.3304                 1.4043
 Frc consts  --      0.5442                 1.1294                 0.7123
 IR Inten    --      0.1331                19.8627                 4.2069
 RamAct Fr= 1--      1.1835                 3.9890                 1.1814
  Dep-P Fr= 1--      0.6915                 0.7353                 0.3682
  Dep-U Fr= 1--      0.8176                 0.8474                 0.5383
 Alpha2 Fr= 1--      0.0012                 0.0010                 0.0098
 Beta2  Fr= 1--      0.1613                 0.5634                 0.1060
 AlphaG Fr= 1--      0.0006                -0.0055                -0.0150
 Gamma2 Fr= 1--     -0.1636                -1.4409                -1.1720
 Delta2 Fr= 1--     -0.0448                -1.2893                 0.0987
 Raman1 Fr= 1--       4.734                 15.956                  4.726
 ROA1   Fr= 1--     -17.134               -179.582               -109.351
 CID1   Fr= 1--      -3.619                -11.255                -23.140
 Raman2 Fr= 1--       1.935                  6.761                  1.272
 ROA2   Fr= 1--      -3.567                -24.267                -28.917
 CID2   Fr= 1--      -1.843                 -3.589                -22.736
 Raman3 Fr= 1--       3.871                 13.522                  2.544
 ROA3   Fr= 1--     -17.134               -179.582               -109.351
 CID3   Fr= 1--      -4.427                -13.281                -42.989
 RC180  Fr= 1--       0.635                  0.695                  0.077
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.05   0.14  -0.06     0.01  -0.02   0.01
     2   6     0.00  -0.00   0.00     0.16  -0.05  -0.07    -0.01   0.01  -0.01
     3   1    -0.00  -0.00  -0.00    -0.03  -0.10   0.06     0.01   0.01  -0.01
     4   1     0.00   0.01  -0.00     0.25   0.13  -0.24    -0.09  -0.04   0.05
     5   6     0.00  -0.00  -0.00    -0.01  -0.14   0.13     0.00   0.01   0.01
     6   6     0.00  -0.00   0.00     0.04   0.01   0.00    -0.00   0.01  -0.07
     7   1    -0.01  -0.00   0.01    -0.34  -0.13   0.67    -0.01  -0.02  -0.05
     8   1     0.00   0.00  -0.01    -0.05   0.20   0.03     0.02  -0.01  -0.09
     9   1    -0.00  -0.00  -0.00    -0.01   0.18  -0.16    -0.07  -0.05   0.08
    10   6    -0.01  -0.02   0.06    -0.01  -0.04  -0.00    -0.01  -0.01   0.08
    11   6    -0.01  -0.02   0.08    -0.03  -0.06  -0.02     0.00   0.00   0.03
    12   6     0.00  -0.00   0.01     0.03   0.01  -0.01     0.01   0.02  -0.10
    13   6     0.01   0.02  -0.07    -0.05   0.05   0.00     0.01   0.00  -0.03
    14   6     0.01   0.02  -0.08    -0.02   0.02   0.02    -0.01  -0.03   0.11
    15   1     0.04   0.10  -0.43    -0.01  -0.04  -0.08     0.04   0.11  -0.42
    16   1     0.05   0.12  -0.51    -0.10  -0.03  -0.00     0.03   0.05  -0.19
    17   1     0.01   0.02  -0.07     0.02  -0.03   0.09    -0.06  -0.14   0.58
    18   1    -0.05  -0.12   0.45    -0.11   0.02   0.01    -0.00  -0.04   0.13
    19   1    -0.05  -0.13   0.51    -0.01   0.05  -0.07     0.06   0.14  -0.55
                     19                     20                     21
                      A                      A                      A
 Frequencies --    963.9874               984.8874              1020.1609
 Red. masses --      1.3182                 1.2729                 2.0420
 Frc consts  --      0.7217                 0.7275                 1.2521
 IR Inten    --      0.0681                 0.9658                 6.3733
 RamAct Fr= 1--      0.0424                 0.2760                23.9597
  Dep-P Fr= 1--      0.4280                 0.2334                 0.1531
  Dep-U Fr= 1--      0.5994                 0.3785                 0.2656
 Alpha2 Fr= 1--      0.0003                 0.0034                 0.3674
 Beta2  Fr= 1--      0.0042                 0.0174                 1.0607
 AlphaG Fr= 1--      0.0028                 0.0021                -0.0296
 Gamma2 Fr= 1--      0.1727                 0.2289                 3.1482
 Delta2 Fr= 1--     -0.0467                -0.0585                 2.9682
 Raman1 Fr= 1--       0.170                  1.104                 95.839
 ROA1   Fr= 1--      15.082                 20.100                397.211
 CID1   Fr= 1--      88.867                 18.207                  4.145
 Raman2 Fr= 1--       0.051                  0.209                 12.728
 ROA2   Fr= 1--       4.518                  5.962                 51.811
 CID2   Fr= 1--      88.814                 28.533                  4.071
 Raman3 Fr= 1--       0.102                  0.418                 25.456
 ROA3   Fr= 1--      15.082                 20.100                397.211
 CID3   Fr= 1--     148.250                 48.100                 15.604
 RC180  Fr= 1--       0.199                 -0.243                 -0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.08   0.02
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.04   0.14  -0.08
     3   1     0.00  -0.01   0.00     0.00   0.00  -0.01     0.06  -0.30   0.10
     4   1     0.02   0.00  -0.01    -0.03  -0.01   0.01     0.28   0.18  -0.20
     5   6    -0.01  -0.00   0.00     0.00   0.00   0.01    -0.15   0.00   0.04
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.05   0.03  -0.02
     7   1     0.01   0.01  -0.00    -0.01  -0.01  -0.01     0.26   0.12  -0.16
     8   1    -0.01  -0.00   0.03     0.01  -0.00  -0.04    -0.17  -0.22   0.62
     9   1     0.01   0.01  -0.01    -0.03  -0.01   0.03     0.19  -0.05   0.02
    10   6     0.01   0.01  -0.07    -0.01  -0.01   0.09     0.06  -0.10  -0.00
    11   6    -0.00  -0.01   0.03     0.01   0.03  -0.10    -0.03  -0.04  -0.02
    12   6    -0.01  -0.01   0.06     0.00  -0.01   0.06    -0.09   0.01  -0.01
    13   6     0.01   0.03  -0.11     0.00   0.01  -0.03    -0.01   0.02   0.00
    14   6    -0.01  -0.02   0.07    -0.00  -0.00   0.00     0.03   0.06   0.02
    15   1    -0.03  -0.08   0.34     0.04   0.13  -0.57     0.08  -0.08  -0.08
    16   1     0.01   0.03  -0.12    -0.06  -0.15   0.63    -0.08  -0.03  -0.01
    17   1     0.03   0.09  -0.36     0.04   0.09  -0.37    -0.10   0.06   0.03
    18   1    -0.06  -0.16   0.65    -0.02  -0.06   0.21     0.01   0.04  -0.01
    19   1     0.04   0.12  -0.47     0.01   0.02  -0.09    -0.01   0.08   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.6378              1054.6141              1090.9288
 Red. masses --      4.7182                 2.1823                 1.7555
 Frc consts  --      2.9300                 1.4300                 1.2309
 IR Inten    --      1.2324                 5.9732                29.0194
 RamAct Fr= 1--     35.4768                17.2103                 0.4767
  Dep-P Fr= 1--      0.0599                 0.0491                 0.6564
  Dep-U Fr= 1--      0.1131                 0.0937                 0.7926
 Alpha2 Fr= 1--      0.6844                 0.3407                 0.0008
 Beta2  Fr= 1--      0.6686                 0.2687                 0.0630
 AlphaG Fr= 1--      0.0345                 0.0064                -0.0034
 Gamma2 Fr= 1--     -1.8343                -0.4445                -0.6604
 Delta2 Fr= 1--     -0.7361                -0.3270                -0.6865
 Raman1 Fr= 1--     141.907                 68.841                  1.907
 ROA1   Fr= 1--    -199.653                -53.138                -85.363
 CID1   Fr= 1--      -1.407                 -0.772                -44.771
 Raman2 Fr= 1--       8.023                  3.224                  0.756
 ROA2   Fr= 1--     -38.135                 -8.052                -10.357
 CID2   Fr= 1--      -4.753                 -2.497                -13.707
 Raman3 Fr= 1--      16.047                  6.449                  1.511
 ROA3   Fr= 1--    -199.653                -53.138                -85.363
 CID3   Fr= 1--     -12.442                 -8.240                -56.490
 RC180  Fr= 1--      -0.774                 -0.813                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.05   0.01    -0.01   0.01  -0.00     0.01  -0.05  -0.00
     2   6     0.04   0.09  -0.05    -0.01  -0.03   0.01    -0.05   0.08   0.07
     3   1     0.05  -0.21   0.07    -0.01   0.05  -0.02    -0.01   0.23  -0.07
     4   1     0.15   0.14  -0.13    -0.07  -0.06   0.05     0.10   0.14  -0.02
     5   6    -0.09   0.00   0.03     0.01   0.01  -0.01     0.04  -0.07  -0.04
     6   6     0.04   0.02  -0.01     0.02  -0.00   0.00    -0.04   0.06  -0.01
     7   1     0.16   0.08  -0.09     0.01   0.00  -0.05    -0.10  -0.02   0.27
     8   1    -0.10  -0.14   0.38     0.01  -0.01  -0.03     0.00   0.19  -0.04
     9   1     0.11  -0.04   0.02    -0.01  -0.01   0.01     0.07   0.18  -0.27
    10   6    -0.18   0.24   0.04     0.03   0.08   0.02     0.09  -0.03   0.01
    11   6    -0.03  -0.06  -0.01    -0.00  -0.18  -0.04    -0.04  -0.05  -0.02
    12   6     0.31   0.04   0.04    -0.13  -0.02  -0.02    -0.02   0.07   0.02
    13   6    -0.03   0.04   0.01    -0.05   0.18   0.04     0.07  -0.05  -0.00
    14   6    -0.13  -0.29  -0.09     0.06  -0.06  -0.01    -0.08  -0.07  -0.02
    15   1    -0.17   0.26   0.07     0.31   0.27   0.09     0.38   0.17   0.04
    16   1    -0.04  -0.04  -0.05     0.35  -0.35  -0.04    -0.18   0.01  -0.01
    17   1     0.32   0.06   0.07    -0.14  -0.04  -0.03    -0.06   0.46   0.11
    18   1    -0.01   0.05  -0.01     0.24   0.40   0.13     0.28   0.09   0.05
    19   1    -0.11  -0.31  -0.07     0.39  -0.20  -0.02    -0.31   0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1096.4884              1131.5845              1184.3171
 Red. masses --      2.4706                 1.9450                 1.1219
 Frc consts  --      1.7501                 1.4673                 0.9271
 IR Inten    --     22.9952                31.1954                 0.5690
 RamAct Fr= 1--     15.5372                 0.6588                 3.6339
  Dep-P Fr= 1--      0.2192                 0.7149                 0.7323
  Dep-U Fr= 1--      0.3595                 0.8338                 0.8454
 Alpha2 Fr= 1--      0.2004                 0.0004                 0.0011
 Beta2  Fr= 1--      0.9310                 0.0915                 0.5120
 AlphaG Fr= 1--      0.1081                -0.0069                -0.0003
 Gamma2 Fr= 1--     -0.1746                -0.7744                 0.0086
 Delta2 Fr= 1--     -0.3835                -0.2477                 0.1251
 Raman1 Fr= 1--      62.149                  2.635                 14.536
 ROA1   Fr= 1--     -29.032                -82.269                  4.826
 CID1   Fr= 1--      -0.467                -31.220                  0.332
 Raman2 Fr= 1--      11.172                  1.099                  6.145
 ROA2   Fr= 1--      -1.121                -16.604                 -0.795
 CID2   Fr= 1--      -0.100                -15.115                 -0.129
 Raman3 Fr= 1--      22.344                  2.197                 12.289
 ROA3   Fr= 1--     -29.032                -82.269                  4.826
 CID3   Fr= 1--      -1.299                -37.445                  0.393
 RC180  Fr= 1--      -0.281                  0.668                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03   0.07  -0.03     0.03  -0.10  -0.00    -0.00  -0.00   0.00
     2   6     0.02  -0.11   0.25    -0.06   0.19   0.05    -0.00  -0.01  -0.01
     3   1    -0.04   0.11  -0.03     0.01   0.15  -0.06    -0.01   0.07  -0.02
     4   1     0.24  -0.04   0.15     0.02   0.31  -0.10     0.02  -0.02   0.00
     5   6    -0.06  -0.02  -0.16     0.04  -0.08  -0.02     0.00   0.01   0.00
     6   6     0.07   0.02  -0.08    -0.04  -0.01  -0.01     0.02   0.01   0.00
     7   1     0.26   0.16  -0.05    -0.13  -0.04   0.34    -0.00  -0.00  -0.02
     8   1    -0.10  -0.02   0.41    -0.00   0.23  -0.04     0.00  -0.01  -0.01
     9   1     0.42   0.18  -0.45     0.02   0.19  -0.25    -0.01  -0.01   0.02
    10   6    -0.02  -0.01   0.02    -0.08   0.00  -0.01    -0.00  -0.01  -0.00
    11   6    -0.01  -0.01  -0.00     0.04   0.04   0.01     0.04  -0.03  -0.00
    12   6     0.02  -0.01  -0.00    -0.01  -0.05  -0.01    -0.01   0.07   0.02
    13   6    -0.04   0.02   0.00    -0.02   0.02   0.00    -0.04  -0.02  -0.01
    14   6     0.01   0.01   0.03     0.07   0.01   0.01     0.01  -0.01  -0.00
    15   1    -0.16  -0.09  -0.16    -0.31  -0.15  -0.06    -0.16  -0.12  -0.04
    16   1    -0.02   0.00  -0.00     0.24  -0.05   0.01     0.43  -0.20  -0.01
    17   1     0.03  -0.10  -0.01     0.03  -0.34  -0.08    -0.07   0.66   0.15
    18   1    -0.11  -0.03  -0.03    -0.09  -0.02  -0.01    -0.39  -0.26  -0.10
    19   1     0.03   0.04  -0.08     0.41  -0.13  -0.01     0.13  -0.06  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1196.1230              1206.7034              1249.7169
 Red. masses --      1.5091                 1.3240                 1.4066
 Frc consts  --      1.2721                 1.1359                 1.2943
 IR Inten    --     43.2589                17.9918                 6.8103
 RamAct Fr= 1--     12.1298                 5.3480                14.4410
  Dep-P Fr= 1--      0.1239                 0.5851                 0.1251
  Dep-U Fr= 1--      0.2205                 0.7382                 0.2224
 Alpha2 Fr= 1--      0.2002                 0.0165                 0.2376
 Beta2  Fr= 1--      0.4457                 0.6580                 0.5354
 AlphaG Fr= 1--      0.0463                 0.0046                -0.1776
 Gamma2 Fr= 1--      0.9769                -0.2487                -1.3690
 Delta2 Fr= 1--      0.2634                -0.2602                -0.0070
 Raman1 Fr= 1--      48.519                 21.392                 57.764
 ROA1   Fr= 1--     102.210                -32.199               -131.649
 CID1   Fr= 1--       2.107                 -1.505                 -2.279
 Raman2 Fr= 1--       5.348                  7.896                  6.425
 ROA2   Fr= 1--      21.338                 -3.886                -32.800
 CID2   Fr= 1--       3.990                 -0.492                 -5.105
 Raman3 Fr= 1--      10.697                 15.792                 12.849
 ROA3   Fr= 1--     102.210                -32.199               -131.649
 CID3   Fr= 1--       9.555                 -2.039                -10.246
 RC180  Fr= 1--      -0.559                  0.476                 -0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03  -0.04   0.02     0.02   0.03  -0.01    -0.02   0.01   0.02
     2   6    -0.05  -0.00  -0.04     0.03  -0.00   0.02     0.05  -0.03  -0.02
     3   1    -0.07   0.56  -0.19     0.05  -0.37   0.12    -0.05   0.42  -0.12
     4   1     0.06  -0.04  -0.04    -0.06   0.04   0.01     0.75  -0.18  -0.06
     5   6     0.01   0.01   0.02    -0.00  -0.01  -0.01    -0.01   0.03   0.03
     6   6     0.17   0.03   0.03    -0.10  -0.02  -0.02    -0.12   0.07  -0.01
     7   1    -0.03  -0.02  -0.02     0.01   0.01   0.01     0.03   0.01  -0.10
     8   1     0.02  -0.01  -0.05    -0.01  -0.00   0.02     0.01  -0.06  -0.02
     9   1    -0.07  -0.04   0.09     0.03   0.01  -0.04    -0.01  -0.07   0.12
    10   6    -0.01  -0.02  -0.01    -0.05  -0.02  -0.01    -0.04  -0.04  -0.01
    11   6    -0.02  -0.06  -0.02     0.07   0.00   0.01     0.05   0.01   0.01
    12   6     0.02  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.02   0.00
    13   6    -0.02   0.05   0.01     0.06   0.01   0.01     0.01  -0.04  -0.01
    14   6    -0.01   0.01   0.00    -0.06   0.02   0.00    -0.00  -0.03  -0.01
    15   1    -0.40  -0.31  -0.10    -0.26  -0.17  -0.07    -0.02  -0.02  -0.02
    16   1     0.05  -0.09  -0.02     0.52  -0.20   0.00     0.04   0.02   0.01
    17   1     0.03  -0.07  -0.01    -0.01   0.04   0.01     0.01  -0.07  -0.01
    18   1     0.16   0.18   0.06     0.43   0.25   0.11     0.20   0.08   0.04
    19   1    -0.44   0.21   0.02    -0.34   0.14   0.00     0.24  -0.15  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1343.1258              1357.5819              1360.9025
 Red. masses --      3.6152                 1.3240                 1.3670
 Frc consts  --      3.8425                 1.4377                 1.4917
 IR Inten    --      2.7694                10.5122                 9.9445
 RamAct Fr= 1--      1.3928                10.6051                 2.9783
  Dep-P Fr= 1--      0.3717                 0.3712                 0.2195
  Dep-U Fr= 1--      0.5420                 0.5414                 0.3600
 Alpha2 Fr= 1--      0.0114                 0.0868                 0.0384
 Beta2  Fr= 1--      0.1258                 0.9570                 0.1787
 AlphaG Fr= 1--      0.0321                -0.0158                -0.0041
 Gamma2 Fr= 1--     -0.8273                -2.4168                 0.9371
 Delta2 Fr= 1--     -0.5483                 0.3010                -0.3893
 Raman1 Fr= 1--       5.571                 42.420                 11.913
 ROA1   Fr= 1--     -96.972               -222.377                 77.502
 CID1   Fr= 1--     -17.405                 -5.242                  6.506
 Raman2 Fr= 1--       1.510                 11.484                  2.145
 ROA2   Fr= 1--     -15.469                -60.411                 25.604
 CID2   Fr= 1--     -10.246                 -5.261                 11.939
 Raman3 Fr= 1--       3.020                 22.968                  4.289
 ROA3   Fr= 1--     -96.972               -222.377                 77.502
 CID3   Fr= 1--     -32.114                 -9.682                 18.069
 RC180  Fr= 1--       0.084                  0.083                 -0.280
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03   0.03  -0.00     0.00  -0.01  -0.02     0.02   0.01  -0.01
     2   6    -0.05   0.00  -0.03    -0.04  -0.08   0.07    -0.04  -0.04   0.02
     3   1     0.05  -0.36   0.11     0.01  -0.07   0.02     0.03  -0.20   0.06
     4   1    -0.39  -0.31   0.33     0.08   0.65  -0.63    -0.06   0.17  -0.17
     5   6     0.01  -0.02  -0.02     0.02   0.06   0.03     0.02   0.01   0.01
     6   6     0.02   0.24   0.07     0.01   0.02  -0.01     0.01   0.08   0.02
     7   1    -0.06  -0.03   0.06    -0.04  -0.02  -0.13    -0.04  -0.02  -0.04
     8   1    -0.01   0.01   0.04     0.06  -0.09  -0.14     0.02  -0.02  -0.04
     9   1     0.00   0.05  -0.09    -0.04  -0.04   0.12    -0.04   0.01   0.02
    10   6    -0.12  -0.09  -0.03    -0.04  -0.02  -0.01     0.09   0.04   0.02
    11   6     0.16  -0.10  -0.01     0.03  -0.01   0.00    -0.00  -0.02  -0.01
    12   6    -0.02   0.17   0.04    -0.01   0.05   0.01     0.01  -0.07  -0.02
    13   6    -0.16  -0.10  -0.04    -0.03  -0.01  -0.00    -0.00  -0.01  -0.00
    14   6     0.17  -0.08  -0.01     0.05  -0.02   0.00    -0.08   0.01  -0.00
    15   1    -0.08  -0.06  -0.02     0.13   0.10   0.03    -0.43  -0.33  -0.11
    16   1    -0.35   0.12  -0.01     0.02  -0.01  -0.00    -0.33   0.12  -0.01
    17   1     0.02  -0.16  -0.04     0.01  -0.09  -0.02    -0.03   0.29   0.07
    18   1     0.21   0.15   0.07    -0.05  -0.02  -0.01     0.24   0.15   0.06
    19   1    -0.04   0.02   0.01    -0.14   0.08  -0.01     0.45  -0.22  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1403.8523              1418.7476              1487.4354
 Red. masses --      1.2685                 1.4787                 1.3616
 Frc consts  --      1.4729                 1.7536                 1.7749
 IR Inten    --     12.5040                11.8986                15.9115
 RamAct Fr= 1--      2.6236                 4.6405                 1.8556
  Dep-P Fr= 1--      0.4071                 0.1969                 0.7497
  Dep-U Fr= 1--      0.5786                 0.3290                 0.8570
 Alpha2 Fr= 1--      0.0189                 0.0635                 0.0000
 Beta2  Fr= 1--      0.2530                 0.2544                 0.2650
 AlphaG Fr= 1--      0.0070                 0.0365                 0.0000
 Gamma2 Fr= 1--     -0.1767                 0.7509                 1.5828
 Delta2 Fr= 1--     -0.0459                 0.5386                -0.9815
 Raman1 Fr= 1--      10.494                 18.562                  7.422
 ROA1   Fr= 1--     -18.437                 89.318                120.539
 CID1   Fr= 1--      -1.757                  4.812                 16.240
 Raman2 Fr= 1--       3.036                  3.053                  3.180
 ROA2   Fr= 1--      -3.874                 13.712                 45.839
 CID2   Fr= 1--      -1.276                  4.491                 14.413
 Raman3 Fr= 1--       6.072                  6.107                  6.361
 ROA3   Fr= 1--     -18.437                 89.318                120.539
 CID3   Fr= 1--      -3.036                 14.627                 18.950
 RC180  Fr= 1--       0.157                 -0.342                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.01  -0.00     0.03   0.04  -0.00     0.01   0.00  -0.00
     2   6    -0.05  -0.00   0.01    -0.17   0.01  -0.00    -0.01   0.00  -0.00
     3   1     0.02  -0.10   0.03     0.06  -0.43   0.15     0.01  -0.05   0.01
     4   1     0.17  -0.05  -0.00     0.59  -0.26   0.05    -0.08  -0.02   0.04
     5   6     0.07   0.04  -0.12     0.05  -0.02   0.04    -0.02   0.04   0.01
     6   6     0.01  -0.00  -0.01     0.05  -0.00  -0.01    -0.01   0.08   0.02
     7   1    -0.35   0.02   0.46    -0.09  -0.16  -0.26    -0.25  -0.02   0.20
     8   1     0.01  -0.15   0.50     0.03   0.08  -0.10     0.08  -0.49  -0.28
     9   1    -0.30  -0.35   0.34    -0.18   0.27  -0.18     0.52  -0.08  -0.03
    10   6     0.00  -0.00   0.00     0.02   0.01   0.01     0.06  -0.02   0.00
    11   6    -0.01   0.00   0.00    -0.04  -0.00  -0.00    -0.07  -0.02  -0.01
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.06   0.01
    13   6     0.01   0.01   0.00     0.02   0.03   0.01     0.08   0.01   0.01
    14   6    -0.00  -0.00   0.00     0.01  -0.02  -0.00    -0.04  -0.04  -0.01
    15   1     0.02   0.01  -0.01    -0.02  -0.03  -0.02    -0.08  -0.12  -0.03
    16   1     0.02  -0.01  -0.00     0.05  -0.05  -0.01     0.15  -0.12  -0.02
    17   1     0.00  -0.02  -0.01     0.01  -0.10  -0.02     0.03  -0.33  -0.08
    18   1    -0.03  -0.02  -0.01    -0.15  -0.08  -0.04    -0.17  -0.17  -0.06
    19   1    -0.01   0.01  -0.01    -0.12   0.04  -0.01     0.04  -0.08  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.9070              1497.1900              1536.1089
 Red. masses --      1.2745                 1.2342                 2.2488
 Frc consts  --      1.6691                 1.6300                 3.1264
 IR Inten    --      1.8942                 1.6597                 9.5742
 RamAct Fr= 1--      6.2321                 3.4503                 0.7016
  Dep-P Fr= 1--      0.6184                 0.4754                 0.3806
  Dep-U Fr= 1--      0.7642                 0.6444                 0.5513
 Alpha2 Fr= 1--      0.0150                 0.0190                 0.0056
 Beta2  Fr= 1--      0.7938                 0.3706                 0.0645
 AlphaG Fr= 1--      0.0598                -0.0108                 0.0065
 Gamma2 Fr= 1--      3.2191                -3.0198                -0.0379
 Delta2 Fr= 1--     -0.4676                 0.2477                 0.0090
 Raman1 Fr= 1--      24.928                 13.801                  2.807
 ROA1   Fr= 1--     294.068               -281.974                 -3.348
 CID1   Fr= 1--      11.797                -20.431                 -1.193
 Raman2 Fr= 1--       9.525                  4.447                  0.774
 ROA2   Fr= 1--      80.998                -74.457                 -0.982
 CID2   Fr= 1--       8.503                -16.744                 -1.269
 Raman3 Fr= 1--      19.051                  8.894                  1.547
 ROA3   Fr= 1--     294.068               -281.974                 -3.348
 CID3   Fr= 1--      15.436                -31.704                 -2.164
 RC180  Fr= 1--       0.528                  0.289                  0.103
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.01  -0.00     0.01   0.01   0.00     0.00   0.01  -0.00
     2   6    -0.01  -0.04  -0.01    -0.07   0.02  -0.00    -0.05  -0.00  -0.00
     3   1     0.01  -0.06   0.02     0.02  -0.13   0.04     0.01  -0.07   0.02
     4   1    -0.04   0.03  -0.06     0.25  -0.09   0.00     0.01  -0.03   0.00
     5   6    -0.01  -0.04  -0.02    -0.04   0.00  -0.01    -0.01  -0.00   0.00
     6   6    -0.01   0.07   0.02     0.01  -0.05  -0.02     0.14   0.02   0.02
     7   1     0.50   0.25   0.11     0.24   0.24   0.40     0.05   0.05   0.08
     8   1    -0.08   0.58  -0.02     0.01   0.06  -0.42     0.00   0.02  -0.12
     9   1    -0.20  -0.21   0.20     0.43  -0.33   0.19     0.10  -0.06   0.03
    10   6     0.05  -0.01   0.00    -0.02   0.03   0.01    -0.05  -0.10  -0.03
    11   6    -0.05  -0.02  -0.01     0.05  -0.00   0.00    -0.13   0.09   0.01
    12   6    -0.01   0.06   0.01    -0.00  -0.05  -0.01     0.11   0.01   0.01
    13   6     0.06   0.00   0.01    -0.04   0.02   0.00    -0.10  -0.11  -0.04
    14   6    -0.03  -0.03  -0.01     0.05   0.01   0.01    -0.07   0.09   0.01
    15   1    -0.06  -0.10  -0.03    -0.02   0.04   0.01     0.37   0.18   0.07
    16   1     0.11  -0.10  -0.01    -0.15   0.09   0.01     0.46  -0.16   0.01
    17   1     0.03  -0.28  -0.06    -0.03   0.21   0.05     0.13  -0.00   0.01
    18   1    -0.13  -0.14  -0.05     0.03   0.07   0.02     0.40   0.22   0.10
    19   1     0.03  -0.07  -0.01    -0.12   0.08   0.01     0.42  -0.12   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1631.1214              1652.1882              2977.4202
 Red. masses --      5.6125                 5.5688                 1.0833
 Frc consts  --      8.7979                 8.9563                 5.6584
 IR Inten    --      0.5345                 3.6393                39.9009
 RamAct Fr= 1--      8.1792                42.4873               111.8231
  Dep-P Fr= 1--      0.7165                 0.6022                 0.2169
  Dep-U Fr= 1--      0.8348                 0.7517                 0.3564
 Alpha2 Fr= 1--      0.0047                 0.1162                 1.4516
 Beta2  Fr= 1--      1.1380                 5.3229                 6.6432
 AlphaG Fr= 1--      0.0322                 0.0357                 1.7247
 Gamma2 Fr= 1--     -0.8371                 0.5568                 9.2769
 Delta2 Fr= 1--      0.1317                -0.2073                 4.1314
 Raman1 Fr= 1--      32.717                169.949                447.292
 ROA1   Fr= 1--     -76.146                 46.821               1022.788
 CID1   Fr= 1--      -2.327                  0.275                  2.287
 Raman2 Fr= 1--      13.656                 63.875                 79.718
 ROA2   Fr= 1--     -21.144                 15.023                189.594
 CID2   Fr= 1--      -1.548                  0.235                  2.378
 Raman3 Fr= 1--      27.312                127.750                159.436
 ROA3   Fr= 1--     -76.146                 46.821               1022.788
 CID3   Fr= 1--      -2.788                  0.367                  6.415
 RC180  Fr= 1--       0.670                  0.503                 -0.287
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6    -0.01   0.04   0.01     0.04   0.00   0.01    -0.02  -0.05  -0.06
     3   1    -0.01   0.03  -0.01    -0.00   0.04  -0.01     0.00  -0.00   0.00
     4   1     0.20  -0.03   0.00     0.00   0.03  -0.02     0.18   0.66   0.72
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     6   6     0.02  -0.30  -0.07    -0.23  -0.01  -0.02     0.00  -0.00  -0.00
     7   1    -0.01  -0.00   0.02    -0.02  -0.01  -0.01     0.02  -0.03   0.01
     8   1     0.00  -0.01  -0.02    -0.00  -0.01   0.05    -0.07  -0.01  -0.01
     9   1     0.01   0.00  -0.00    -0.03   0.00   0.00    -0.01  -0.04  -0.04
    10   6     0.09   0.20   0.06     0.28   0.10   0.05     0.00   0.00  -0.00
    11   6     0.08  -0.19  -0.04    -0.27   0.05  -0.01     0.00  -0.00  -0.00
    12   6    -0.03   0.35   0.08     0.14  -0.01   0.01     0.00   0.00   0.00
    13   6    -0.06  -0.21  -0.06    -0.26  -0.08  -0.05    -0.00  -0.00   0.00
    14   6    -0.11   0.17   0.03     0.31  -0.07   0.01     0.00   0.00   0.00
    15   1    -0.30  -0.06  -0.04    -0.27  -0.29  -0.09    -0.00   0.00   0.00
    16   1    -0.23  -0.07  -0.04     0.26  -0.19  -0.02     0.00   0.00   0.00
    17   1     0.06  -0.47  -0.11     0.14   0.04   0.03     0.00   0.00  -0.00
    18   1     0.26  -0.01   0.02     0.19   0.24   0.08    -0.00   0.00  -0.00
    19   1     0.29   0.01   0.03    -0.36   0.23   0.03    -0.01  -0.01  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3022.6500              3088.7265              3111.4041
 Red. masses --      1.0384                 1.0970                 1.1026
 Frc consts  --      5.5896                 6.1663                 6.2887
 IR Inten    --     34.0758                32.9505                16.6192
 RamAct Fr= 1--    251.4165                92.2335                36.3247
  Dep-P Fr= 1--      0.0707                 0.7458                 0.7080
  Dep-U Fr= 1--      0.1320                 0.8544                 0.8290
 Alpha2 Fr= 1--      4.7267                 0.0066                 0.0265
 Beta2  Fr= 1--      5.5305                13.1335                 5.0190
 AlphaG Fr= 1--     -0.2915                -0.0032                -0.0617
 Gamma2 Fr= 1--      0.1058                -2.4176                -1.5877
 Delta2 Fr= 1--     -0.1906                 0.1724                -2.2199
 Raman1 Fr= 1--    1005.666                368.934                145.299
 ROA1   Fr= 1--       4.052               -226.574               -223.455
 CID1   Fr= 1--       0.004                 -0.614                 -1.538
 Raman2 Fr= 1--      66.366                157.602                 60.228
 ROA2   Fr= 1--       4.063                -59.402                -20.346
 CID2   Fr= 1--       0.061                 -0.377                 -0.338
 Raman3 Fr= 1--     132.732                315.203                120.456
 ROA3   Fr= 1--       4.052               -226.574               -223.455
 CID3   Fr= 1--       0.031                 -0.719                 -1.855
 RC180  Fr= 1--      -0.736                  0.709                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
     3   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   1     0.01   0.02   0.03     0.01   0.03   0.04     0.01   0.05   0.06
     5   6    -0.04  -0.01   0.03    -0.08   0.01  -0.05     0.01  -0.09  -0.03
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.18   0.37  -0.11     0.22  -0.51   0.14    -0.29   0.61  -0.19
     8   1     0.76   0.09   0.09     0.61   0.08   0.06     0.04  -0.01  -0.00
     9   1    -0.09  -0.32  -0.34     0.08   0.36   0.38     0.13   0.46   0.51
    10   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3155.9405              3168.7983              3179.3961
 Red. masses --      1.0869                 1.0866                 1.0913
 Frc consts  --      6.3782                 6.4283                 6.4994
 IR Inten    --      8.9638                 0.6342                22.8144
 RamAct Fr= 1--     54.0567               104.1707                83.5804
  Dep-P Fr= 1--      0.4669                 0.5993                 0.7330
  Dep-U Fr= 1--      0.6366                 0.7495                 0.8460
 Alpha2 Fr= 1--      0.3091                 0.2908                 0.0243
 Beta2  Fr= 1--      5.7351                13.0119                11.7842
 AlphaG Fr= 1--     -0.1700                -0.0570                -0.0348
 Gamma2 Fr= 1--     -0.8803                 0.8770                -0.8194
 Delta2 Fr= 1--      0.6280                 0.4928                 0.5997
 Raman1 Fr= 1--     216.227                416.683                334.322
 ROA1   Fr= 1--     -64.414                 99.963                -59.474
 CID1   Fr= 1--      -0.298                  0.240                 -0.178
 Raman2 Fr= 1--      68.822                156.142                141.410
 ROA2   Fr= 1--     -26.152                 17.105                -24.464
 CID2   Fr= 1--      -0.380                  0.110                 -0.173
 Raman3 Fr= 1--     137.643                312.285                282.820
 ROA3   Fr= 1--     -64.414                 99.963                -59.474
 CID3   Fr= 1--      -0.468                  0.320                 -0.210
 RC180  Fr= 1--       0.273                  0.499                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   1     0.01   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   1     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    11   6    -0.00  -0.01  -0.00     0.02   0.05   0.01    -0.02  -0.05  -0.01
    12   6     0.01   0.00   0.00    -0.05  -0.01  -0.01    -0.02   0.00  -0.00
    13   6    -0.02   0.03   0.01     0.01  -0.02  -0.00     0.04  -0.05  -0.01
    14   6    -0.03  -0.07  -0.02    -0.01  -0.02  -0.01    -0.01  -0.02  -0.01
    15   1     0.01  -0.02  -0.00    -0.09   0.12   0.02     0.09  -0.13  -0.02
    16   1     0.04   0.09   0.02    -0.27  -0.59  -0.17     0.24   0.53   0.15
    17   1    -0.15  -0.01  -0.02     0.61   0.05   0.07     0.28   0.02   0.03
    18   1     0.22  -0.31  -0.06    -0.15   0.20   0.04    -0.40   0.54   0.10
    19   1     0.35   0.79   0.24     0.11   0.25   0.08     0.11   0.23   0.07
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3192.2772              3207.3527              3808.5397
 Red. masses --      1.0959                 1.0925                 1.0662
 Frc consts  --      6.5802                 6.6217                 9.1121
 IR Inten    --     19.4512                 4.1515                22.9054
 RamAct Fr= 1--    226.4338               135.9241               161.4043
  Dep-P Fr= 1--      0.1110                 0.1368                 0.2400
  Dep-U Fr= 1--      0.1998                 0.2407                 0.3871
 Alpha2 Fr= 1--      3.8587                 2.1722                 1.9668
 Beta2  Fr= 1--      7.5419                 5.4537                10.4142
 AlphaG Fr= 1--     -0.3193                 0.2423                 0.1637
 Gamma2 Fr= 1--     -0.4717                 0.9458                 2.2774
 Delta2 Fr= 1--     -3.3074                 1.5820                -1.1914
 Raman1 Fr= 1--     905.735                543.696                645.617
 ROA1   Fr= 1--    -151.121                141.418                180.509
 CID1   Fr= 1--      -0.167                  0.260                  0.280
 Raman2 Fr= 1--      90.502                 65.444                124.971
 ROA2   Fr= 1--      15.139                 10.042                 64.189
 CID2   Fr= 1--       0.167                  0.153                  0.514
 Raman3 Fr= 1--     181.005                130.889                249.941
 ROA3   Fr= 1--    -151.121                141.418                180.509
 CID3   Fr= 1--      -0.835                  1.080                  0.722
 RC180  Fr= 1--      -0.600                 -0.519                 -0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.06  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.99   0.06  -0.06
     4   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.01   0.01   0.00     0.05  -0.07  -0.01     0.00   0.00   0.00
    11   6    -0.01  -0.03  -0.01    -0.01  -0.02  -0.01     0.00  -0.00  -0.00
    12   6    -0.06  -0.01  -0.01    -0.01   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.03   0.04   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   6     0.01   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1     0.13  -0.17  -0.03    -0.56   0.76   0.12     0.00   0.00   0.00
    16   1     0.12   0.28   0.08     0.11   0.25   0.07     0.00   0.00   0.00
    17   1     0.70   0.06   0.08     0.11   0.01   0.01     0.00   0.00   0.00
    18   1     0.33  -0.45  -0.08     0.03  -0.05  -0.01     0.00  -0.00   0.00
    19   1    -0.07  -0.14  -0.04    -0.00  -0.01  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   519.290171584.083771862.35835
           X            0.99982   0.01579  -0.01030
           Y           -0.01559   0.99970   0.01900
           Z            0.01059  -0.01883   0.99977
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16679     0.05468     0.04651
 Rotational constants (GHZ):           3.47540     1.13930     0.96906
 Zero-point vibrational energy     421954.3 (Joules/Mol)
                                  100.84950 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     48.29   189.40   313.64   371.47   391.60
          (Kelvin)            442.97   541.06   595.40   693.57   782.85
                              881.23   918.20  1027.42  1110.51  1120.71
                             1236.81  1304.89  1334.98  1386.96  1417.03
                             1467.78  1477.10  1517.35  1569.60  1577.60
                             1628.10  1703.97  1720.95  1736.18  1798.06
                             1932.46  1953.26  1958.04  2019.83  2041.26
                             2140.09  2145.08  2154.12  2210.12  2346.82
                             2377.13  4283.84  4348.92  4443.99  4476.62
                             4540.69  4559.19  4574.44  4592.97  4614.67
                             5479.64
 
 Zero-point correction=                           0.160714 (Hartree/Particle)
 Thermal correction to Energy=                    0.169146
 Thermal correction to Enthalpy=                  0.170090
 Thermal correction to Gibbs Free Energy=         0.127121
 Sum of electronic and zero-point Energies=           -386.115587
 Sum of electronic and thermal Energies=              -386.107154
 Sum of electronic and thermal Enthalpies=            -386.106210
 Sum of electronic and thermal Free Energies=         -386.149180
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.141             32.296             90.437
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.817
 Vibrational            104.363             26.335             21.307
 Vibration     1          0.594              1.983              5.607
 Vibration     2          0.612              1.922              2.922
 Vibration     3          0.646              1.814              1.976
 Vibration     4          0.667              1.749              1.674
 Vibration     5          0.675              1.725              1.582
 Vibration     6          0.698              1.659              1.374
 Vibration     7          0.747              1.521              1.055
 Vibration     8          0.777              1.440              0.913
 Vibration     9          0.838              1.290              0.705
 Vibration    10          0.899              1.153              0.557
 Vibration    11          0.972              1.005              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.337686D-58        -58.471486       -134.635573
 Total V=0       0.282951D+16         15.451712         35.578881
 Vib (Bot)       0.143767D-71        -71.842342       -165.423106
 Vib (Bot)    1  0.616772D+01          0.790125          1.819330
 Vib (Bot)    2  0.154805D+01          0.189785          0.436997
 Vib (Bot)    3  0.908166D+00         -0.041835         -0.096328
 Vib (Bot)    4  0.752963D+00         -0.123226         -0.283739
 Vib (Bot)    5  0.709277D+00         -0.149184         -0.343509
 Vib (Bot)    6  0.614928D+00         -0.211176         -0.486251
 Vib (Bot)    7  0.482117D+00         -0.316848         -0.729569
 Vib (Bot)    8  0.426305D+00         -0.370279         -0.852599
 Vib (Bot)    9  0.346331D+00         -0.460509         -1.060361
 Vib (Bot)   10  0.290049D+00         -0.537528         -1.237705
 Vib (Bot)   11  0.240656D+00         -0.618603         -1.424385
 Vib (V=0)       0.120464D+03          2.080856          4.791348
 Vib (V=0)    1  0.668796D+01          0.825294          1.900309
 Vib (V=0)    2  0.212679D+01          0.327726          0.754616
 Vib (V=0)    3  0.153671D+01          0.186592          0.429643
 Vib (V=0)    4  0.140385D+01          0.147322          0.339222
 Vib (V=0)    5  0.136780D+01          0.136022          0.313202
 Vib (V=0)    6  0.129255D+01          0.111447          0.256617
 Vib (V=0)    7  0.119458D+01          0.077214          0.177792
 Vib (V=0)    8  0.115707D+01          0.063358          0.145888
 Vib (V=0)    9  0.110823D+01          0.044630          0.102765
 Vib (V=0)   10  0.107804D+01          0.032634          0.075143
 Vib (V=0)   11  0.105490D+01          0.023212          0.053447
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.443069D+06          5.646471         13.001481
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                 33333 33 32                                           11 1111111111111111111                                  
     8                 21111 10 09                                           66 54444433322111000009999 8 77 7 66 5 4  43 3222  1    
     0                 09765 18 27                                           53 39981065450983995228620 6 77 1 31 4 8  17 0751  3  3 
     9                 72996 19 37                                           21 67179418307642615705487 0 92 4 82 4 2  46 8288  2  4 
 
     X                 XXXXX XX XX                                           XX XXXXXXXXXXXXXXXXXXXXXXX X XX X XX X X  XX XXXX  X  X 
     X                  XX X XX XX                                              X  XXXXX  XX XXX      X    X X  X X        XX        
     X                  XX   XX XX                                                 X X    XX XXX      X    X X  X           X        
     X                  XX    X XX                                                        XX XXX      X    X X              X        
     X                   X    X XX                                                         X XXX           X X              X        
                              X XX                                                         X X X             X              X        
                              X XX                                                         X                 X              X        
                                 X                                                         X                 X              X        
                                                                                           X                 X              X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000017301   -0.000028225    0.000027327
      2        6          -0.000018651    0.000037003   -0.000022551
      3        1           0.000002026    0.000001570   -0.000011470
      4        1           0.000007142   -0.000007901    0.000011853
      5        6           0.000005849   -0.000005041    0.000004743
      6        6          -0.000015324    0.000016269   -0.000017094
      7        1          -0.000002483   -0.000006064    0.000003851
      8        1          -0.000011246   -0.000001754   -0.000000115
      9        1          -0.000000772    0.000001346    0.000002973
     10        6          -0.000019798   -0.000005855   -0.000006210
     11        6           0.000016556    0.000003706    0.000006219
     12        6           0.000013588    0.000016215    0.000005275
     13        6          -0.000005253   -0.000022204   -0.000003052
     14        6           0.000008027   -0.000005190    0.000002995
     15        1           0.000000034    0.000008820    0.000000151
     16        1          -0.000001129    0.000005478    0.000000307
     17        1           0.000004347   -0.000001090   -0.000000698
     18        1           0.000003096   -0.000001731   -0.000000606
     19        1          -0.000003308   -0.000005352   -0.000003901
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037003 RMS     0.000011568
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.130345D+03  0.113609D+01  0.143095D+01
      2   0.113609D+01  0.104355D+03  0.653398D+01
      3   0.143095D+01  0.653398D+01  0.713177D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.122113D+01  0.330515D+01  0.706739D+01
      2   0.724575D+01  0.142625D+02 -0.298347D+01
      3  -0.640601D+01 -0.406923D+02 -0.134236D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.822159D+02  0.100494D+02  0.311232D+01
      2  -0.297181D+02 -0.142834D+02 -0.157142D+02
      3  -0.524977D+02  0.423398D+01  0.126019D+02
      4  -0.190420D+02  0.739243D+02  0.347537D+02
      5   0.306023D+02  0.361288D+02 -0.134056D+02
      6   0.140979D+02  0.962857D+01 -0.163804D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.768733D+01  0.257286D+00 -0.988330D-01  0.159328D+01 -0.211730D+01
      2   0.257286D+00  0.576304D+00  0.394143D+00 -0.211730D+01  0.328198D+01
      3  -0.988330D-01  0.394143D+00  0.228727D+00  0.136554D+01 -0.244432D+01
                 6             7             8             9            10 
      1   0.136554D+01 -0.131990D+00  0.984016D+00 -0.129541D+01  0.634930D+01
      2  -0.244432D+01  0.984016D+00 -0.575118D+00  0.121389D+01  0.176001D+01
      3   0.836965D+00 -0.129541D+01  0.121389D+01 -0.165105D+01 -0.993106D+00
                11            12            13            14            15 
      1   0.176001D+01 -0.993106D+00  0.498588D+01  0.395454D+01 -0.195339D+01
      2   0.139865D+01 -0.123932D+01  0.395454D+01  0.143627D+01  0.373316D+01
      3  -0.123932D+01  0.216610D+01 -0.195339D+01  0.373316D+01  0.360269D+01
                16            17            18            19            20 
      1  -0.526581D+01 -0.182815D+01  0.466718D+01 -0.122367D+02  0.216014D+01
      2  -0.182815D+01  0.194994D+01  0.389460D+01  0.216014D+01 -0.164244D+01
      3   0.466718D+01  0.389460D+01  0.529354D+00 -0.107792D+01  0.482073D+00
                21            22            23            24            25 
      1  -0.107792D+01  0.682212D+00 -0.928958D+00 -0.396608D-01  0.495651D+00
      2   0.482073D+00 -0.928958D+00  0.675741D+00 -0.921866D-02 -0.131722D+00
      3  -0.130021D+01 -0.396608D-01 -0.921866D-02  0.180898D+00 -0.814051D+00
                26            27            28            29            30 
      1  -0.131722D+00 -0.814051D+00 -0.113060D+01 -0.129040D+01 -0.106936D+01
      2   0.110325D+00  0.311139D+00 -0.129040D+01 -0.927643D+00 -0.380699D+00
      3   0.311139D+00 -0.423487D+00 -0.106936D+01 -0.380699D+00 -0.125812D+01
                31            32            33            34            35 
      1  -0.358996D+01 -0.181291D+01 -0.761963D+00 -0.199057D+01 -0.773937D+00
      2  -0.181291D+01 -0.409416D+01 -0.259330D+01 -0.773937D+00 -0.257232D+01
      3  -0.761963D+00 -0.259330D+01 -0.295339D+01 -0.197466D+01 -0.274634D+01
                36            37            38            39            40 
      1  -0.197466D+01  0.102149D+02  0.177192D+01  0.462669D+00 -0.223559D+00
      2  -0.274634D+01  0.177192D+01 -0.227515D+01  0.909712D+00 -0.266001D+01
      3  -0.444604D+01  0.462669D+00  0.909712D+00 -0.225945D+01  0.181868D+01
                41            42            43            44            45 
      1  -0.266001D+01  0.181868D+01  0.640671D+01  0.229610D+01 -0.377990D+01
      2   0.254486D+01 -0.312605D+01  0.229610D+01 -0.183646D+01 -0.316235D+01
      3  -0.312605D+01 -0.302878D+01 -0.377990D+01 -0.316235D+01 -0.319093D+00
                46            47            48            49            50 
      1  -0.194981D+02 -0.318579D+01  0.395889D+00 -0.383410D+01  0.838232D+00
      2  -0.318579D+01 -0.289319D+01  0.512829D-02  0.838232D+00 -0.835663D-01
      3   0.395889D+00  0.512829D-02 -0.167287D+01  0.145244D+01 -0.369305D+00
                51            52            53            54            55 
      1   0.145244D+01 -0.479961D+00  0.140960D+01 -0.392020D+01  0.128972D+00
      2  -0.369305D+00  0.140960D+01 -0.403164D+00 -0.731399D+00 -0.107855D+01
      3  -0.236984D+00 -0.392020D+01 -0.731399D+00 -0.101915D+01  0.243583D+00
                56            57            58            59            60 
      1  -0.107855D+01  0.243583D+00 -0.167681D+01  0.643122D+00 -0.172449D+00
      2   0.159585D+01 -0.769273D+00  0.643122D+00 -0.617020D+01  0.245470D+01
      3  -0.769273D+00  0.110601D+01 -0.172449D+00  0.245470D+01 -0.193586D+01
                61            62            63            64            65 
      1  -0.333696D-01 -0.382795D+00  0.401824D+00 -0.147543D+02 -0.235730D+01
      2  -0.382795D+00  0.162136D+01 -0.131114D+01 -0.235730D+01 -0.134735D+01
      3   0.401824D+00 -0.131114D+01  0.169128D+01  0.130418D+01  0.379616D+00
                66            67            68            69            70 
      1   0.130418D+01 -0.175420D+01 -0.156088D+01  0.141015D-01 -0.167454D+01
      2   0.379616D+00 -0.156088D+01 -0.105215D+01  0.480048D+00 -0.377048D+00
      3  -0.147909D+01  0.141015D-01  0.480048D+00 -0.199122D-01 -0.901703D+00
                71            72            73            74            75 
      1  -0.377048D+00 -0.901703D+00 -0.317826D+00  0.443404D+00  0.481458D+00
      2  -0.149912D+00  0.977064D-01  0.443404D+00  0.473237D+00 -0.157694D-01
      3   0.977064D-01 -0.770080D-01  0.481458D+00 -0.157694D-01  0.107190D+01
                76            77            78            79            80 
      1   0.149530D+01  0.121942D+00 -0.691235D+00  0.861492D+00 -0.174280D+00
      2   0.121942D+00  0.195773D+01  0.197436D+01 -0.174280D+00  0.179829D+01
      3  -0.691235D+00  0.197436D+01  0.333807D+01 -0.293736D+00  0.169034D+01
                81            82            83            84            85 
      1  -0.293736D+00  0.418741D+01 -0.627900D+00  0.171739D-01  0.894015D+01
      2   0.169034D+01 -0.627900D+00 -0.307552D+01 -0.855138D+00  0.550783D+00
      3   0.508458D+01  0.171739D-01 -0.855138D+00 -0.167849D+01  0.124549D+00
                86            87            88            89            90 
      1   0.550783D+00  0.124549D+00  0.317812D+01 -0.338645D+00 -0.197140D+01
      2   0.172785D+01 -0.789266D+00 -0.338645D+00 -0.176420D+01  0.312812D+01
      3  -0.789266D+00  0.148521D+01 -0.197140D+01  0.312812D+01  0.120130D+01
                91            92            93            94            95 
      1  -0.396332D+01 -0.550802D+00 -0.213100D+00  0.486918D+01  0.133220D+00
      2  -0.550802D+00  0.257796D+01 -0.285983D+00  0.133220D+00  0.104227D+01
      3  -0.213100D+00 -0.285983D+00  0.698373D+00 -0.425171D+00 -0.107445D+01
                96            97            98            99           100 
      1  -0.425171D+00  0.480266D+00 -0.891780D+00  0.198511D+01  0.560915D+01
      2  -0.107445D+01 -0.891780D+00 -0.134385D+01  0.350543D+01  0.442463D+00
      3   0.125946D+01  0.198511D+01  0.350543D+01  0.279965D+01 -0.639662D+00
               101           102           103           104           105 
      1   0.442463D+00 -0.639662D+00  0.142224D+01 -0.328152D+00 -0.133756D+01
      2   0.322970D+01  0.205794D+00 -0.328152D+00  0.346140D+00 -0.535304D+00
      3   0.205794D+00  0.223863D+01 -0.133756D+01 -0.535304D+00 -0.110777D+00
               106           107           108           109           110 
      1  -0.391308D-01 -0.141371D+01  0.518678D+01 -0.318396D+01 -0.578739D+00
      2  -0.141371D+01  0.152742D+00  0.350752D+00 -0.578739D+00  0.224565D+01
      3   0.518678D+01  0.350752D+00  0.929376D+00 -0.384094D+00  0.909873D+00
               111           112           113           114           115 
      1  -0.384094D+00 -0.584296D+01 -0.870978D+00 -0.110311D+01 -0.214246D+01
      2   0.909873D+00 -0.870978D+00 -0.103235D+01  0.124168D+01 -0.655871D+00
      3   0.164614D+01 -0.110311D+01  0.124168D+01 -0.133672D+01  0.285531D+01
               116           117           118           119           120 
      1  -0.655871D+00  0.285531D+01  0.531822D+01  0.250049D+01  0.516972D+00
      2   0.202802D+01 -0.300174D+01  0.250049D+01 -0.235459D+01 -0.825034D-01
      3  -0.300174D+01 -0.126397D+01  0.516972D+00 -0.825034D-01 -0.888812D+00
               121           122           123           124           125 
      1  -0.740672D+01 -0.892563D+00  0.477810D+00 -0.558807D+00  0.119488D+01
      2  -0.892563D+00 -0.172560D+01  0.123575D+01  0.119488D+01  0.107912D+01
      3   0.477810D+00  0.123575D+01 -0.110360D+01 -0.727990D+00 -0.307599D+01
               126           127           128           129           130 
      1  -0.727990D+00 -0.312963D+01  0.223078D+01  0.198483D+00  0.232013D+01
      2  -0.307599D+01  0.223078D+01 -0.280108D+01 -0.308257D+00 -0.283950D+01
      3  -0.305654D+01  0.198483D+00 -0.308257D+00 -0.357922D+00 -0.486028D+00
               131           132           133           134           135 
      1  -0.283950D+01 -0.486028D+00  0.957600D-01 -0.379444D+00 -0.644229D-01
      2   0.630712D+01  0.877642D+00 -0.379444D+00  0.114883D+01  0.275671D+00
      3   0.877642D+00  0.890171D+00 -0.644229D-01  0.275671D+00  0.187173D+00
               136           137           138           139           140 
      1   0.248425D+01  0.273705D+01  0.818645D+00  0.243966D+01  0.383735D+01
      2   0.273705D+01  0.295272D+01  0.809481D+00  0.383735D+01  0.904964D+01
      3   0.818645D+00  0.809481D+00  0.589611D+00  0.100125D+01  0.216793D+01
               141           142           143           144           145 
      1   0.100125D+01  0.761888D+00  0.115958D+01  0.371359D+00  0.133298D+02
      2   0.216793D+01  0.115958D+01  0.236229D+01  0.703725D+00  0.932900D+00
      3   0.139402D+01  0.371359D+00  0.703725D+00  0.444526D+00  0.125914D+01
               146           147           148           149           150 
      1   0.932900D+00  0.125914D+01  0.793324D+00  0.161833D+01  0.439024D+00
      2   0.839563D+00  0.661057D-01  0.161833D+01  0.355054D+00  0.178384D+00
      3   0.661057D-01  0.100755D+01  0.439024D+00  0.178384D+00  0.139535D+00
               151           152           153           154           155 
      1   0.138753D+01  0.445294D+00  0.263154D+00  0.459163D+01 -0.376202D+01
      2   0.445294D+00  0.116549D+00  0.293959D-01 -0.376202D+01  0.354147D+01
      3   0.263154D+00  0.293959D-01  0.211762D+00 -0.633556D+00  0.501573D+00
               156           157           158           159           160 
      1  -0.633556D+00 -0.362434D+01  0.445570D+01  0.924984D+00 -0.591320D+00
      2   0.501573D+00  0.445570D+01 -0.683303D+01 -0.121759D+01  0.725809D+00
      3   0.599400D+00  0.924984D+00 -0.121759D+01 -0.962443D+00  0.223587D+00
               161           162           163           164           165 
      1   0.725809D+00  0.223587D+00 -0.168644D+01 -0.180494D+01 -0.588554D+00
      2  -0.141364D+01 -0.386319D+00 -0.180494D+01 -0.211415D+01 -0.726559D+00
      3  -0.386319D+00 -0.264007D+00 -0.588554D+00 -0.726559D+00 -0.457474D+00
               166           167           168           169           170 
      1  -0.158870D+01 -0.214198D+01 -0.647816D+00 -0.759468D+00 -0.867903D+00
      2  -0.214198D+01 -0.773358D+01 -0.218486D+01 -0.867903D+00 -0.230880D+01
      3  -0.647816D+00 -0.218486D+01 -0.143856D+01 -0.210828D+00 -0.785492D+00
               171 
      1  -0.210828D+00
      2  -0.785492D+00
      3  -0.558654D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.446159D+00  0.674705D+00  0.101785D+01 -0.244157D+00 -0.365934D+01
      2   0.663183D+01 -0.948222D+00  0.144077D+01 -0.172155D+00  0.334884D+01
      3   0.153448D+02 -0.443802D+01  0.168335D+01  0.242791D+01  0.106139D+02
                 6             7             8             9            10 
      1  -0.448497D+01 -0.251640D+01  0.393444D+01  0.603286D+00 -0.171710D+01
      2  -0.305728D+01 -0.286654D+01 -0.456265D+00  0.316054D+01  0.323931D+01
      3  -0.508051D+01  0.688961D+00 -0.154472D+01  0.301488D+01  0.167132D+01
                11            12            13            14            15 
      1  -0.281495D+00 -0.124120D+00  0.121578D+01  0.256747D+01  0.165605D+01
      2   0.204353D+01 -0.243988D+01  0.333610D+01 -0.604287D+01 -0.559511D+01
      3   0.902282D+00 -0.369643D+00  0.117132D+02 -0.305637D+01  0.823398D+01
                16            17            18            19            20 
      1   0.512708D+01  0.511435D+01 -0.169476D+01 -0.601485D+00  0.806432D+00
      2  -0.163557D+02 -0.935520D+01 -0.640528D+00 -0.674763D+01  0.235356D+00
      3  -0.112739D+01  0.731749D+01  0.595595D+01 -0.957219D+01 -0.400489D+01
                21            22            23            24            25 
      1   0.834270D+00  0.531247D+00 -0.220801D+00 -0.552003D+00  0.679222D+00
      2   0.499679D+01  0.548728D-01 -0.959571D+00  0.913537D-01  0.133373D+01
      3   0.224307D+00 -0.118292D+01  0.384018D+00  0.390173D+00  0.180497D+00
                26            27            28            29            30 
      1   0.119247D+00 -0.366098D+00 -0.100051D+01  0.939569D-01 -0.106562D+01
      2  -0.451331D+00 -0.238323D-01  0.135549D+01  0.442070D+00  0.265191D+01
      3   0.400624D+00 -0.363287D+00 -0.248500D+01 -0.272566D+01 -0.209386D+00
                31            32            33            34            35 
      1  -0.305886D+00  0.122940D+01 -0.272672D+01 -0.142631D+01  0.107430D+01
      2  -0.473133D+00  0.444798D+01  0.553636D+01  0.530337D+00  0.425306D+01
      3   0.463001D+00 -0.759050D+01 -0.524238D+01  0.839488D+00 -0.530327D+01
                36            37            38            39            40 
      1  -0.257211D+01  0.387239D+01 -0.319421D+01 -0.152396D+01 -0.155008D+00
      2   0.726261D+01 -0.133021D+02 -0.480852D+01  0.855319D+01 -0.670786D+01
      3  -0.464033D+01 -0.355333D+01 -0.111575D+02  0.104050D+01 -0.482214D+01
                41            42            43            44            45 
      1   0.234126D+01 -0.105895D+02 -0.204336D+01 -0.507180D+01 -0.294182D+01
      2   0.108214D+02  0.603351D+01  0.631655D+01  0.720786D+01  0.404616D+01
      3   0.114774D+02 -0.115166D+02  0.156665D+01 -0.101195D+02 -0.546884D+01
                46            47            48            49            50 
      1  -0.202762D+00 -0.371247D+00 -0.241085D+00 -0.235469D+01 -0.364354D+01
      2  -0.301091D+01 -0.154916D+01 -0.124223D+01 -0.195129D+01  0.434257D+00
      3  -0.358835D+01  0.677784D+01  0.101479D+01  0.179933D+02  0.185634D+01
                51            52            53            54            55 
      1   0.715102D+00  0.881795D-03  0.980557D+01  0.233582D+01 -0.170359D+01
      2   0.761487D+00 -0.132491D+02  0.296777D+00  0.720016D+00 -0.220662D+01
      3  -0.153170D+01  0.848691D+00  0.102517D+01 -0.120471D+00 -0.505947D+01
                56            57            58            59            60 
      1   0.191880D+01  0.110878D+01  0.131681D+01 -0.583288D+01 -0.795126D+00
      2   0.262625D+01 -0.193060D+01  0.323684D+01 -0.744336D+01  0.464865D+01
      3   0.496755D+01 -0.161590D+01  0.666500D+01 -0.162523D+02  0.645541D+01
                61            62            63            64            65 
      1   0.554191D+00  0.219297D+01  0.365304D+00 -0.682297D+00 -0.150856D+01
      2  -0.242441D+01  0.330190D+01 -0.399395D+01  0.989061D+01  0.827661D+00
      3  -0.773292D+00  0.449689D+01 -0.397761D+01  0.629732D+01 -0.544207D+01
                66            67            68            69            70 
      1  -0.157700D+01 -0.136215D+01 -0.614657D+00 -0.224621D+00 -0.123909D+01
      2   0.661952D+01  0.168469D+01 -0.313460D+00  0.382057D+00  0.181973D+01
      3   0.307282D+00 -0.161332D+01 -0.214153D+01  0.146751D+01  0.140157D-01
                71            72            73            74            75 
      1   0.993447D+00 -0.103649D+00  0.146943D+01  0.142213D+01  0.573858D+00
      2  -0.285843D+00  0.901729D+00 -0.192194D+01 -0.882801D+00 -0.231199D+01
      3   0.597110D+00  0.150142D+01  0.192870D+01  0.967569D+00 -0.159877D+00
                76            77            78            79            80 
      1   0.500514D+00  0.534724D+01  0.373834D+01 -0.214619D+00  0.598717D+01
      2  -0.130963D+01 -0.569893D+01 -0.802081D+01 -0.266844D+01 -0.473216D+01
      3   0.159374D+01  0.534951D+01  0.566618D+01 -0.593618D+00  0.518365D+01
                81            82            83            84            85 
      1   0.645702D+01 -0.587237D+00  0.316127D+00  0.210451D+01 -0.835048D+00
      2  -0.122104D+02  0.227493D+01  0.264226D+00 -0.990739D+00  0.424562D+01
      3   0.512987D+01  0.259297D+01 -0.534896D+00  0.135268D+01  0.400186D+01
                86            87            88            89            90 
      1   0.300626D+00 -0.213559D+01  0.686449D+01  0.331504D+01  0.262450D+00
      2   0.116659D+01  0.648626D+00 -0.120997D+02 -0.365144D-01 -0.312097D+00
      3  -0.671381D+01  0.842156D+00 -0.812413D+00 -0.925600D+00 -0.575340D+01
                91            92            93            94            95 
      1   0.958250D+00  0.918362D+00 -0.114658D+01  0.143780D+01 -0.138311D+00
      2  -0.459205D+00  0.241619D+01  0.886026D+00  0.169143D+01 -0.319784D+01
      3  -0.241326D+00 -0.114906D+02 -0.267337D+01  0.415988D+01 -0.113313D+01
                96            97            98            99           100 
      1  -0.230321D+01 -0.516882D+01  0.103445D+01 -0.130173D+01  0.204099D+00
      2   0.328805D+01 -0.827741D+01  0.844436D+01  0.494453D+01  0.184245D+00
      3   0.200574D+01 -0.550308D+00  0.312081D+01 -0.426230D+01 -0.126187D+01
               101           102           103           104           105 
      1  -0.103227D+01 -0.790476D+00 -0.922039D+00 -0.311741D+01  0.101314D+01
      2  -0.125997D+00  0.606071D+01 -0.487772D+01 -0.198326D+00  0.183147D+00
      3  -0.679877D+01 -0.424397D-01  0.118321D+02  0.761163D+00  0.147327D+01
               106           107           108           109           110 
      1  -0.175659D+01  0.112897D+02  0.298846D+01 -0.862214D+00 -0.698110D+00
      2   0.738579D+01  0.185724D+01  0.173994D+01 -0.114344D+01  0.255609D+01
      3   0.461340D+01  0.132137D+01 -0.634195D-02  0.114848D+01 -0.117253D+02
               111           112           113           114           115 
      1   0.194253D+01 -0.185772D+01 -0.563198D-01 -0.195153D+01  0.700296D+01
      2   0.271627D+01 -0.131358D+01  0.372064D+01 -0.381535D+01 -0.468298D+01
      3  -0.244621D+01  0.589878D+01 -0.205045D+00 -0.232708D+01 -0.615642D+00
               116           117           118           119           120 
      1   0.303186D+01  0.172074D+01 -0.132576D+00  0.151999D+01 -0.145590D+01
      2  -0.101054D+02 -0.339264D+01  0.389393D+01  0.169682D+01 -0.374096D+00
      3  -0.457596D+01  0.384154D+01 -0.142911D+01 -0.252795D+01 -0.233188D+01
               121           122           123           124           125 
      1   0.162608D+01  0.516350D+00 -0.230207D+01 -0.538082D+01  0.172109D+01
      2   0.208481D+01 -0.104075D+01 -0.983303D+00 -0.137438D+02 -0.102645D+01
      3   0.151268D+01  0.727521D+01  0.133137D+00 -0.387474D+01 -0.105554D+01
               126           127           128           129           130 
      1  -0.548696D+00  0.425793D+00 -0.680182D+00  0.194643D+01  0.154834D+00
      2  -0.368409D+01  0.159366D+01 -0.782482D+00  0.374287D+00 -0.742140D+00
      3   0.514476D+01 -0.897429D+01  0.376722D+01  0.138262D+00  0.673163D+01
               131           132           133           134           135 
      1  -0.731721D-01 -0.316359D+01 -0.288387D+00  0.165549D+01 -0.161302D-01
      2   0.125497D+01 -0.867855D+00 -0.133207D+01  0.585126D+00 -0.352772D+00
      3  -0.538237D+01 -0.118083D+01 -0.240470D+00 -0.701110D+00 -0.104811D+00
               136           137           138           139           140 
      1  -0.248232D+00  0.372733D-01 -0.177588D+01 -0.204805D+00  0.573978D+00
      2   0.461472D+00  0.745410D+00  0.182459D+01  0.677695D+00  0.324373D+01
      3  -0.848918D+00 -0.255493D+01 -0.481446D+00 -0.157520D+01 -0.130523D+02
               141           142           143           144           145 
      1  -0.413945D+01  0.543311D+00  0.180168D+01 -0.737091D+00 -0.122863D+00
      2   0.354868D+01 -0.282957D+00  0.345045D+00  0.995561D+00  0.173061D+01
      3  -0.286343D+01 -0.578143D+00 -0.359266D+01 -0.817679D+00 -0.231054D+00
               146           147           148           149           150 
      1   0.466223D+00 -0.450833D+00  0.153640D+00  0.252683D-01 -0.343499D+00
      2  -0.678197D-01  0.624293D+01  0.164276D+01  0.382757D+00  0.717884D+00
      3  -0.520157D+01  0.155786D+00 -0.390361D+01 -0.850804D+00 -0.419004D+00
               151           152           153           154           155 
      1   0.198549D+00  0.463946D+00 -0.404490D-01  0.267476D+00 -0.698524D+00
      2  -0.209017D+01 -0.328098D-01  0.605497D+00  0.135185D+00 -0.142908D+00
      3  -0.113316D+01 -0.718325D+00 -0.148910D+00  0.153116D+01 -0.466585D+01
               156           157           158           159           160 
      1   0.212664D+01  0.285455D+00  0.304891D+00 -0.332116D+01 -0.871728D+00
      2   0.260329D+01  0.775263D+00 -0.156465D+01 -0.340200D+01 -0.459132D+00
      3  -0.224607D+00 -0.342119D+01  0.112501D+02  0.154772D+01 -0.110704D+01
               161           162           163           164           165 
      1   0.138823D+01 -0.428499D+00  0.217264D+00  0.290605D+00 -0.150343D+01
      2   0.338954D+00 -0.487369D+00 -0.188337D+01 -0.127928D+01 -0.224186D-01
      3   0.252836D+01  0.535116D+00  0.616182D+01  0.370918D+01  0.137117D+01
               166           167           168           169           170 
      1   0.303291D+00  0.883554D+00 -0.374788D+01  0.503814D+00  0.232511D+01
      2  -0.188257D+01 -0.236144D+01 -0.981129D-01 -0.202895D+01 -0.716232D+00
      3   0.670047D+01  0.797845D+01  0.266099D+01  0.265452D+01  0.254524D+01
               171 
      1  -0.715416D+00
      2   0.634648D-02
      3   0.540430D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.377968D+02  0.302617D+01  0.509145D-01 -0.622737D+01 -0.589985D+01
      2   0.205098D+02 -0.379382D+01 -0.142717D+01  0.637268D+00  0.132062D+02
      3   0.172870D+02  0.767647D+00  0.137625D+01  0.559010D+01 -0.730640D+01
      4   0.727987D+01  0.445093D+01 -0.161657D+01  0.184809D+02 -0.208600D+02
      5  -0.620312D+01 -0.163630D+01  0.579154D+01 -0.101946D+02  0.110926D+02
      6  -0.134297D+01 -0.153750D+00 -0.228908D+01  0.415402D+01 -0.639588D+01
                 6             7             8             9            10 
      1   0.592439D+00  0.148255D+01  0.256522D+01 -0.356522D+01  0.103831D+02
      2   0.175107D+01 -0.128961D+01 -0.179258D+01 -0.488345D+01 -0.228103D+01
      3  -0.234351D+01 -0.192937D+00 -0.772641D+00  0.844867D+01 -0.810205D+01
      4   0.118098D+02 -0.712739D+01  0.431839D+01 -0.579576D+01 -0.525361D+01
      5  -0.694077D+01  0.120398D+02 -0.627478D+01  0.925840D+01  0.575406D+01
      6   0.120191D+02 -0.155645D+01  0.752059D+01 -0.647725D+01  0.255904D+01
                11            12            13            14            15 
      1   0.978412D+00 -0.147089D+01  0.420147D+01 -0.345227D+00  0.650758D+01
      2   0.152840D+01 -0.767881D+00  0.208932D+01 -0.209962D+00 -0.108049D+02
      3  -0.250681D+01  0.223878D+01 -0.629079D+01  0.555190D+00  0.429737D+01
      4  -0.122168D+02  0.404121D+01 -0.233062D+02 -0.377751D+01 -0.174039D+02
      5   0.457652D+01 -0.147647D+02  0.134978D+02 -0.164578D+02 -0.132572D+02
      6   0.558898D+00 -0.161571D+01 -0.478323D+01 -0.562976D+01 -0.147431D+02
                16            17            18            19            20 
      1   0.117672D+02  0.755361D+01 -0.210890D+01  0.660660D+02 -0.998926D+01
      2  -0.100700D+02 -0.340496D+01  0.473806D+01 -0.345555D+02  0.416497D+01
      3  -0.169715D+01 -0.414865D+01 -0.262915D+01 -0.315105D+02  0.582429D+01
      4   0.131301D+02 -0.985882D+01 -0.200577D+02 -0.242315D+02  0.117058D+02
      5  -0.272137D+02 -0.185599D+02 -0.886013D+00  0.152673D+02 -0.362673D+01
      6  -0.119653D+02 -0.115219D+02 -0.868924D+00 -0.264234D+01  0.154562D+01
                21            22            23            24            25 
      1   0.447108D+01 -0.307071D-01  0.370399D+01  0.382029D+00 -0.121491D+01
      2  -0.350508D+01 -0.149766D+01 -0.604070D+00 -0.183960D+00 -0.122384D+00
      3  -0.965997D+00  0.152837D+01 -0.309992D+01 -0.198069D+00  0.133730D+01
      4  -0.316220D+01  0.804140D+01 -0.396533D+01  0.250241D+00  0.121086D+01
      5   0.879216D+01  0.167365D+00  0.803663D+00 -0.650965D+00  0.670449D+01
      6  -0.188526D+01  0.143560D+01 -0.392909D+00  0.167431D+01 -0.140373D+01
                26            27            28            29            30 
      1   0.958356D+00  0.329520D+01  0.316902D+01  0.230948D+01  0.303630D+01
      2   0.132474D+00 -0.266650D+01 -0.194639D+01 -0.107955D+01 -0.156078D+01
      3  -0.109083D+01 -0.628700D+00 -0.122263D+01 -0.122993D+01 -0.147552D+01
      4  -0.437112D+00 -0.194492D+01  0.801524D+01  0.899085D+01  0.381139D+01
      5  -0.163919D+01  0.251400D+01  0.630562D+01  0.379056D+01  0.976776D+01
      6   0.100764D+01 -0.370792D+00  0.468961D+01  0.177418D+01  0.261409D+01
                31            32            33            34            35 
      1   0.206861D+01 -0.730727D+01 -0.570969D+01  0.151451D+01 -0.618409D+01
      2  -0.782591D+00  0.762020D+01  0.393027D+01 -0.202037D+01  0.150090D+01
      3  -0.128601D+01 -0.312930D+00  0.177942D+01  0.505862D+00  0.468318D+01
      4   0.115541D+02  0.189696D+02  0.117198D+02  0.540162D+01  0.117706D+02
      5   0.517693D+01  0.110471D+02  0.127860D+02  0.129879D+02  0.117883D+02
      6   0.431892D+01  0.131322D+02  0.124527D+02  0.571948D+01  0.121766D+02
                36            37            38            39            40 
      1  -0.832898D+01 -0.625158D+02 -0.168036D+02  0.598717D+01 -0.147089D+02
      2  -0.332039D+01  0.256378D+02  0.124806D+02  0.512625D+00  0.804797D+01
      3   0.116494D+02  0.368781D+02  0.432308D+01 -0.649980D+01  0.666092D+01
      4   0.126886D+02 -0.217831D+02  0.816997D+01 -0.289510D+01  0.111486D+02
      5   0.183984D+02  0.872463D+01 -0.477333D+00  0.113128D+02 -0.650122D+01
      6   0.136952D+02  0.172796D+01 -0.717355D+01  0.421793D+01 -0.542547D+01
                41            42            43            44            45 
      1   0.218915D+02 -0.234218D+01 -0.579052D+01 -0.343810D+01  0.111737D+02
      2  -0.139690D+02  0.158850D+02  0.893897D+01  0.128403D+02 -0.434871D+01
      3  -0.792249D+01 -0.135429D+02 -0.314845D+01 -0.940219D+01 -0.682494D+01
      4  -0.674293D+01  0.130429D+02 -0.129333D+02  0.819472D+01  0.187242D+02
      5   0.866070D+01  0.146089D+02  0.235099D+02  0.167527D+02 -0.382499D+01
      6   0.727207D+01 -0.456847D+01  0.998901D+01 -0.587640D+00 -0.980875D+01
                46            47            48            49            50 
      1  -0.165881D+02 -0.795428D+00 -0.166491D+01  0.219742D+01 -0.632220D+01
      2   0.428829D+01  0.202206D+00  0.420396D+00 -0.393836D+01  0.104772D+02
      3   0.122998D+02  0.593222D+00  0.124451D+01  0.174094D+01 -0.415500D+01
      4   0.121015D+02  0.523760D+01 -0.110758D+00 -0.682074D+01 -0.276337D+01
      5  -0.825561D+01 -0.837185D+00  0.897006D+00 -0.476344D+01  0.123290D+01
      6  -0.389388D+01  0.595419D+00  0.102992D+01 -0.256210D+01  0.476331D+01
                51            52            53            54            55 
      1  -0.519982D+00 -0.935261D+01 -0.201255D+01 -0.897096D+01 -0.840717D+00
      2   0.589651D+01  0.138388D+01  0.342397D+01 -0.336040D+01  0.289812D+01
      3  -0.537653D+01  0.796873D+01 -0.141142D+01  0.123314D+02 -0.205740D+01
      4   0.841123D+00 -0.607828D+01  0.171016D+00  0.292050D+01  0.212113D+01
      5   0.143235D+01  0.450786D+01  0.229658D+01 -0.798975D+00  0.558023D+00
      6   0.288335D-01 -0.506402D-02  0.637260D+01 -0.340897D+01 -0.297207D+01
                56            57            58            59            60 
      1   0.101985D+02 -0.527433D+01  0.102896D+02 -0.238128D+02  0.986052D+01
      2  -0.860594D+01  0.189474D+01 -0.666378D+01  0.269220D+02 -0.699578D+01
      3  -0.159260D+01  0.337960D+01 -0.362586D+01 -0.310923D+01 -0.286474D+01
      4  -0.204681D+01  0.104317D+01  0.284931D+01  0.227524D+02 -0.941362D+01
      5  -0.596704D+00 -0.179691D+01 -0.360841D+01 -0.676127D+01  0.637668D+01
      6   0.556457D+01 -0.424007D+01  0.183764D+01 -0.189635D+02  0.118652D+02
                61            62            63            64            65 
      1  -0.206487D+01  0.756830D+01 -0.959544D+01  0.870423D+02  0.107274D+02
      2   0.468519D+00 -0.413731D+01  0.330160D+01 -0.427772D+02 -0.327260D+01
      3   0.159635D+01 -0.343099D+01  0.629384D+01 -0.442651D+02 -0.745484D+01
      4   0.900092D+00 -0.582972D+01  0.362595D+01  0.293454D+02  0.151078D+02
      5   0.699083D+00  0.349973D+01 -0.475134D+01 -0.234104D+02 -0.440486D+01
      6  -0.216626D+01  0.105572D+02 -0.697044D+01 -0.427857D+01 -0.292781D+01
                66            67            68            69            70 
      1  -0.279040D+01  0.697646D+01  0.582190D+01  0.479425D+00  0.756321D+01
      2   0.434311D+01 -0.105965D+01 -0.100212D+01 -0.123837D+01 -0.143970D+01
      3  -0.155271D+01 -0.591680D+01 -0.481978D+01  0.758947D+00 -0.612351D+01
      4  -0.289850D+01  0.154724D+02  0.804751D+01 -0.245650D+01  0.287560D+01
      5   0.133160D+02 -0.188122D+01 -0.344301D+01  0.795523D+00  0.942026D+01
      6   0.327743D+01 -0.234456D+01 -0.221408D+01  0.248482D+01  0.244439D+01
                71            72            73            74            75 
      1   0.872488D+00  0.587993D+01  0.369519D+01 -0.100512D+01 -0.599910D+01
      2  -0.715018D+00 -0.434870D+01 -0.335338D+01 -0.844125D-01  0.305326D+00
      3  -0.157470D+00 -0.153123D+01 -0.341812D+00  0.108953D+01  0.569378D+01
      4   0.986345D+00  0.937967D+00 -0.531096D+00 -0.119317D+01  0.146495D+00
      5   0.992783D-01 -0.676437D+00 -0.246048D+01  0.158737D+01 -0.610486D-01
      6   0.154635D+01  0.513203D+00  0.153655D+01  0.175736D+01 -0.345256D+00
                76            77            78            79            80 
      1  -0.442875D+01 -0.677309D+01 -0.549162D+01 -0.473793D+01 -0.384967D+01
      2   0.326445D+01 -0.560172D+00 -0.744639D+01  0.329470D+01 -0.614066D+01
      3   0.116429D+01  0.733326D+01  0.129380D+02  0.144323D+01  0.999034D+01
      4   0.413890D+00 -0.101275D+02 -0.962976D+01  0.196956D+00 -0.905041D+01
      5   0.633768D+01 -0.778877D+01 -0.145588D+02  0.585230D+01 -0.717177D+01
      6   0.133054D+00  0.689067D+01  0.712766D+01 -0.300706D+00  0.659508D+01
                81            82            83            84            85 
      1  -0.138461D+02  0.221303D+01  0.147769D+02  0.458051D+01 -0.619733D+01
      2  -0.122689D+02 -0.387380D+01 -0.105408D+02 -0.100456D+01  0.135987D+02
      3   0.261150D+02  0.166077D+01 -0.423612D+01 -0.357596D+01 -0.740135D+01
      4  -0.912795D+01  0.753392D+01 -0.126105D+02 -0.872870D+00  0.784826D+00
      5  -0.204341D+02  0.399040D+01 -0.160370D+01 -0.121708D+01  0.333443D+01
      6   0.479833D+01  0.239387D+01 -0.251701D+01 -0.430021D+01  0.829544D+01
                86            87            88            89            90 
      1   0.136319D+01  0.382405D+01 -0.734823D+00  0.620801D+01 -0.134936D+02
      2  -0.445850D+01 -0.354665D+01  0.581264D+01 -0.859491D+01  0.245294D+01
      3   0.309530D+01 -0.277402D+00 -0.507782D+01  0.238690D+01  0.110407D+02
      4   0.139715D+02  0.285653D+01  0.271142D+01  0.435915D+00  0.315718D+01
      5   0.285548D+01 -0.500489D-02  0.475250D+01  0.254321D+01 -0.149694D+01
      6  -0.532080D+01  0.442431D+01 -0.226984D+01  0.120429D+02  0.121781D+00
                91            92            93            94            95 
      1   0.654775D+01 -0.199981D+02 -0.262388D+01  0.228121D+02  0.113812D+02
      2  -0.602573D+01  0.130285D+02  0.863911D+00 -0.197242D+02 -0.136495D+02
      3  -0.522022D+00  0.696960D+01  0.175997D+01 -0.308783D+01  0.226835D+01
      4  -0.115060D+02 -0.599300D+01 -0.484960D+01  0.807073D+01 -0.475984D+01
      5  -0.656350D+01 -0.330626D+01 -0.135032D+01  0.656367D+00 -0.726738D+01
      6  -0.563904D+01 -0.200708D+01  0.274711D+01 -0.558828D+01 -0.113069D+02
                96            97            98            99           100 
      1   0.413353D+01  0.471276D+01 -0.334617D+00 -0.544103D+01 -0.136977D+02
      2  -0.664618D+01 -0.820650D+01 -0.862687D+01 -0.538331D+01  0.958817D+01
      3   0.251265D+01  0.349374D+01  0.896149D+01  0.108243D+02  0.410951D+01
      4  -0.669908D+01 -0.463825D+01 -0.114916D+02  0.129444D+02 -0.286511D+01
      5   0.693109D+01  0.116683D+02  0.133858D+02  0.990830D+01 -0.605885D+01
      6   0.280318D+01  0.553813D+01  0.124505D+02  0.344716D+01  0.153935D+01
               101           102           103           104           105 
      1  -0.244624D+01 -0.678284D+01  0.726383D+01 -0.196625D+02 -0.843342D+01
      2   0.203544D+01  0.363148D+01 -0.480065D+01  0.160112D+02  0.964751D+01
      3   0.410802D+00  0.315135D+01 -0.246318D+01  0.365124D+01 -0.121409D+01
      4   0.224927D+02  0.140808D+01 -0.170279D+02 -0.461584D+01 -0.428675D+01
      5   0.121205D+01  0.140556D+02 -0.132668D+02 -0.168771D+01 -0.146015D+00
      6   0.951957D+00  0.176405D+01 -0.323502D+01  0.350044D+01 -0.168159D+01
               106           107           108           109           110 
      1  -0.716770D+01 -0.951207D+01  0.137429D+02  0.154097D+01  0.214525D+02
      2   0.154180D+01  0.714502D+01 -0.160027D+02 -0.506513D+01 -0.128953D+02
      3   0.562590D+01  0.236705D+01  0.225989D+01  0.352417D+01 -0.855718D+01
      4  -0.140763D+02 -0.894062D+00  0.880836D+00  0.177220D+02  0.156942D+01
      5   0.332427D+02  0.241456D+01  0.493900D+01 -0.229688D-01  0.133440D+01
      6   0.838913D+00  0.468803D+01 -0.408730D+01  0.736261D+00 -0.218004D+01
               111           112           113           114           115 
      1   0.594086D+01 -0.254694D+02  0.411218D+01  0.435387D+00 -0.902004D+01
      2  -0.468619D+00  0.229752D+02 -0.767334D+01 -0.946756D+00  0.110261D+02
      3  -0.547224D+01  0.249416D+01  0.356116D+01  0.511369D+00 -0.200603D+01
      4   0.327236D+01  0.251100D+01  0.114584D+02  0.103283D+02 -0.589607D+00
      5   0.506984D+01 -0.634732D+01  0.869481D+01 -0.741928D+01  0.177103D+02
      6  -0.497541D+01  0.780065D+01 -0.646535D+01  0.417181D+01 -0.666517D+01
               116           117           118           119           120 
      1   0.560421D+01  0.197277D+01  0.856434D+01 -0.991667D+01 -0.115293D+00
      2  -0.910071D+01 -0.750441D+01 -0.622084D+01  0.820955D+01 -0.103314D+01
      3   0.349651D+01  0.553164D+01 -0.234351D+01  0.170712D+01  0.114843D+01
      4   0.106388D+02 -0.140616D+02 -0.991846D+01 -0.180595D+02 -0.442735D+01
      5  -0.143903D+02 -0.815878D+01  0.168533D+01 -0.317554D+01 -0.352106D+01
      6   0.115272D+02 -0.153282D+01 -0.213627D+01 -0.194455D+01  0.296463D+01
               121           122           123           124           125 
      1   0.331885D+01  0.857455D+01  0.618806D+01  0.334426D+01  0.369409D+01
      2  -0.101940D+02 -0.106245D+02 -0.756500D+01 -0.585465D+01 -0.106168D+02
      3   0.687516D+01  0.204994D+01  0.137694D+01  0.251038D+01  0.692274D+01
      4   0.119854D+02 -0.126146D+02 -0.247526D+01 -0.703571D+00 -0.430081D+01
      5  -0.128910D+01 -0.303893D+01 -0.397772D+00  0.132696D+01 -0.520027D+01
      6  -0.690270D+01 -0.114855D+02  0.153445D+01  0.160922D+01  0.110485D+02
               126           127           128           129           130 
      1  -0.146519D+02 -0.502807D+01  0.792975D+01  0.975734D+00  0.885442D+01
      2  -0.350481D+00  0.701144D+01 -0.110341D+02 -0.977325D+00 -0.115900D+02
      3   0.150024D+02 -0.198336D+01  0.310433D+01  0.159041D-02  0.273562D+01
      4  -0.671275D+01 -0.848805D+01  0.827934D+01  0.111947D+01  0.772023D+01
      5  -0.599198D+01 -0.805130D+00  0.132042D+01  0.116310D+01  0.118980D+01
      6   0.513046D+01  0.912580D+00 -0.123794D+01 -0.224644D+01 -0.231010D+01
               131           132           133           134           135 
      1  -0.224155D+02 -0.361567D+01  0.141273D+01 -0.388112D+01 -0.106366D+01
      2   0.300211D+02  0.314515D+01 -0.195997D+01  0.476223D+01  0.162974D+01
      3  -0.760560D+01  0.470523D+00  0.547235D+00 -0.881108D+00 -0.566078D+00
      4  -0.863389D+01 -0.101812D+01  0.106687D+01 -0.130506D+01 -0.175752D+01
      5  -0.141260D+01 -0.124152D+01  0.114973D+01 -0.824504D+00 -0.855935D+00
      6   0.490050D+01  0.533579D+01 -0.112405D+01  0.252723D+01  0.138933D+01
               136           137           138           139           140 
      1   0.616359D+01  0.533147D+01  0.127690D+01 -0.679791D+00 -0.142538D+02
      2   0.274972D+01  0.456983D+01  0.201816D+00  0.110043D+02  0.346154D+02
      3  -0.891331D+01 -0.990130D+01 -0.147872D+01 -0.103245D+02 -0.203616D+02
      4   0.200381D+02  0.239378D+02  0.600678D+01  0.247638D+02  0.463652D+02
      5   0.541877D+01  0.598520D+01  0.534840D+01  0.607546D+01  0.105172D+02
      6   0.396161D+01  0.452141D+01  0.333945D+01  0.607082D+01  0.138683D+02
               141           142           143           144           145 
      1  -0.357976D+01  0.446563D+00 -0.291700D+01 -0.232243D+01  0.100834D+03
      2   0.558382D+01  0.198100D+01  0.709234D+01  0.292031D+01 -0.572801D+02
      3  -0.200406D+01 -0.242756D+01 -0.417534D+01 -0.597876D+00 -0.435536D+02
      4   0.107383D+02  0.704222D+01  0.124846D+02  0.474808D+01  0.951248D+01
      5   0.684656D+01  0.277359D+01  0.419389D+01  0.303212D+01  0.124285D+02
      6   0.939165D+01  0.277052D+01  0.631778D+01  0.403115D+01 -0.244455D+01
               146           147           148           149           150 
      1   0.671360D+01  0.803326D+01  0.466397D+01  0.959557D+01  0.183032D+01
      2  -0.334746D+01 -0.546644D+01 -0.201159D+01 -0.465985D+01 -0.153095D+01
      3  -0.336614D+01 -0.256682D+01 -0.265238D+01 -0.493572D+01 -0.299367D+00
      4   0.894083D+01  0.441190D+00  0.153237D+02  0.303574D+01  0.149970D+01
      5   0.510785D+00  0.108765D+02  0.351182D+01  0.170789D+01  0.121688D+01
      6   0.385501D+00  0.259672D+00  0.105116D+01 -0.227176D+00  0.150375D+01
               151           152           153           154           155 
      1   0.101049D+02  0.213362D+01  0.437724D+01  0.195799D+02 -0.127598D+02
      2  -0.598110D+01 -0.123386D+01 -0.302559D+01 -0.265540D+01 -0.177742D+01
      3  -0.412376D+01 -0.899762D+00 -0.135165D+01 -0.169245D+02  0.145372D+02
      4   0.398836D+01  0.151666D+01  0.934371D+00 -0.321396D+02  0.303406D+02
      5   0.517931D+01  0.642612D+00  0.228027D+01 -0.611248D+01  0.440602D+01
      6   0.210324D+00  0.755485D+00  0.382084D+00  0.217863D+01 -0.196939D+01
               156           157           158           159           160 
      1  -0.252260D+01 -0.747726D+01  0.159614D+01  0.575190D+00 -0.487196D+00
      2   0.795125D+00 -0.748451D+01  0.188175D+02  0.128062D+01 -0.145276D+01
      3   0.172747D+01  0.149618D+02 -0.204137D+02 -0.185581D+01  0.193996D+01
      4   0.436196D+01  0.331122D+02 -0.451431D+02 -0.783959D+01  0.585829D+01
      5   0.592391D+01  0.674766D+01 -0.821014D+01 -0.627205D+01  0.278153D+01
      6  -0.311324D+01 -0.431694D+01  0.613376D+01  0.611866D+01 -0.214506D+01
               161           162           163           164           165 
      1  -0.334684D+00 -0.472524D+00 -0.553870D+01 -0.821523D+01 -0.320055D+01
      2   0.311691D+01  0.116114D+01  0.645471D+01  0.945456D+01  0.228850D+01
      3  -0.278223D+01 -0.688618D+00 -0.916010D+00 -0.123932D+01  0.912053D+00
      4  -0.781566D+01 -0.372379D+01  0.418296D+01  0.725138D+01  0.171480D+01
      5  -0.302148D+01 -0.183588D+01  0.119081D+01  0.147525D+01  0.171418D+01
      6   0.339981D+01  0.211095D+01  0.311424D+01  0.445621D+01  0.279639D+01
               166           167           168           169           170 
      1  -0.818467D+01 -0.308181D+02 -0.947219D+01 -0.273201D+01 -0.904998D+01
      2   0.964466D+01  0.388604D+02  0.849697D+01  0.299556D+01  0.999358D+01
      3  -0.145999D+01 -0.804228D+01  0.975222D+00 -0.263546D+00 -0.943599D+00
      4   0.526718D+01  0.539615D+00 -0.433124D+00  0.176427D+01  0.466248D+00
      5   0.115677D+01 -0.544835D+00 -0.104549D+00  0.125194D+01  0.601706D+00
      6   0.380207D+01  0.144747D+02  0.937470D+01  0.161777D+01  0.593137D+01
               171 
      1  -0.412602D+01
      2   0.371465D+01
      3   0.411377D+00
      4   0.161996D+01
      5   0.811875D+00
      6   0.443957D+01
 Leave Link  716 at Thu Aug 12 20:52:53 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.130345D+03  0.113609D+01  0.143095D+01
      2   0.113609D+01  0.104355D+03  0.653398D+01
      3   0.143095D+01  0.653398D+01  0.713177D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.122113D+01  0.330515D+01  0.706739D+01
      2   0.724575D+01  0.142625D+02 -0.298347D+01
      3  -0.640601D+01 -0.406923D+02 -0.134236D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.822159D+02  0.100494D+02  0.311232D+01
      2  -0.297181D+02 -0.142834D+02 -0.157142D+02
      3  -0.524977D+02  0.423398D+01  0.126019D+02
      4  -0.190420D+02  0.739243D+02  0.347537D+02
      5   0.306023D+02  0.361288D+02 -0.134056D+02
      6   0.140979D+02  0.962857D+01 -0.163804D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.768733D+01  0.257286D+00 -0.988330D-01  0.159328D+01 -0.211730D+01
      2   0.257286D+00  0.576304D+00  0.394143D+00 -0.211730D+01  0.328198D+01
      3  -0.988330D-01  0.394143D+00  0.228727D+00  0.136554D+01 -0.244432D+01
                 6             7             8             9            10 
      1   0.136554D+01 -0.131990D+00  0.984016D+00 -0.129541D+01  0.634930D+01
      2  -0.244432D+01  0.984016D+00 -0.575118D+00  0.121389D+01  0.176001D+01
      3   0.836965D+00 -0.129541D+01  0.121389D+01 -0.165105D+01 -0.993106D+00
                11            12            13            14            15 
      1   0.176001D+01 -0.993106D+00  0.498588D+01  0.395454D+01 -0.195339D+01
      2   0.139865D+01 -0.123932D+01  0.395454D+01  0.143627D+01  0.373316D+01
      3  -0.123932D+01  0.216610D+01 -0.195339D+01  0.373316D+01  0.360269D+01
                16            17            18            19            20 
      1  -0.526581D+01 -0.182815D+01  0.466718D+01 -0.122367D+02  0.216014D+01
      2  -0.182815D+01  0.194994D+01  0.389460D+01  0.216014D+01 -0.164244D+01
      3   0.466718D+01  0.389460D+01  0.529354D+00 -0.107792D+01  0.482073D+00
                21            22            23            24            25 
      1  -0.107792D+01  0.682212D+00 -0.928958D+00 -0.396608D-01  0.495651D+00
      2   0.482073D+00 -0.928958D+00  0.675741D+00 -0.921866D-02 -0.131722D+00
      3  -0.130021D+01 -0.396608D-01 -0.921866D-02  0.180898D+00 -0.814051D+00
                26            27            28            29            30 
      1  -0.131722D+00 -0.814051D+00 -0.113060D+01 -0.129040D+01 -0.106936D+01
      2   0.110325D+00  0.311139D+00 -0.129040D+01 -0.927643D+00 -0.380699D+00
      3   0.311139D+00 -0.423487D+00 -0.106936D+01 -0.380699D+00 -0.125812D+01
                31            32            33            34            35 
      1  -0.358996D+01 -0.181291D+01 -0.761963D+00 -0.199057D+01 -0.773937D+00
      2  -0.181291D+01 -0.409416D+01 -0.259330D+01 -0.773937D+00 -0.257232D+01
      3  -0.761963D+00 -0.259330D+01 -0.295339D+01 -0.197466D+01 -0.274634D+01
                36            37            38            39            40 
      1  -0.197466D+01  0.102149D+02  0.177192D+01  0.462669D+00 -0.223559D+00
      2  -0.274634D+01  0.177192D+01 -0.227515D+01  0.909712D+00 -0.266001D+01
      3  -0.444604D+01  0.462669D+00  0.909712D+00 -0.225945D+01  0.181868D+01
                41            42            43            44            45 
      1  -0.266001D+01  0.181868D+01  0.640671D+01  0.229610D+01 -0.377990D+01
      2   0.254486D+01 -0.312605D+01  0.229610D+01 -0.183646D+01 -0.316235D+01
      3  -0.312605D+01 -0.302878D+01 -0.377990D+01 -0.316235D+01 -0.319093D+00
                46            47            48            49            50 
      1  -0.194981D+02 -0.318579D+01  0.395889D+00 -0.383410D+01  0.838232D+00
      2  -0.318579D+01 -0.289319D+01  0.512829D-02  0.838232D+00 -0.835663D-01
      3   0.395889D+00  0.512829D-02 -0.167287D+01  0.145244D+01 -0.369305D+00
                51            52            53            54            55 
      1   0.145244D+01 -0.479961D+00  0.140960D+01 -0.392020D+01  0.128972D+00
      2  -0.369305D+00  0.140960D+01 -0.403164D+00 -0.731399D+00 -0.107855D+01
      3  -0.236984D+00 -0.392020D+01 -0.731399D+00 -0.101915D+01  0.243583D+00
                56            57            58            59            60 
      1  -0.107855D+01  0.243583D+00 -0.167681D+01  0.643122D+00 -0.172449D+00
      2   0.159585D+01 -0.769273D+00  0.643122D+00 -0.617020D+01  0.245470D+01
      3  -0.769273D+00  0.110601D+01 -0.172449D+00  0.245470D+01 -0.193586D+01
                61            62            63            64            65 
      1  -0.333696D-01 -0.382795D+00  0.401824D+00 -0.147543D+02 -0.235730D+01
      2  -0.382795D+00  0.162136D+01 -0.131114D+01 -0.235730D+01 -0.134735D+01
      3   0.401824D+00 -0.131114D+01  0.169128D+01  0.130418D+01  0.379616D+00
                66            67            68            69            70 
      1   0.130418D+01 -0.175420D+01 -0.156088D+01  0.141015D-01 -0.167454D+01
      2   0.379616D+00 -0.156088D+01 -0.105215D+01  0.480048D+00 -0.377048D+00
      3  -0.147909D+01  0.141015D-01  0.480048D+00 -0.199122D-01 -0.901703D+00
                71            72            73            74            75 
      1  -0.377048D+00 -0.901703D+00 -0.317826D+00  0.443404D+00  0.481458D+00
      2  -0.149912D+00  0.977064D-01  0.443404D+00  0.473237D+00 -0.157694D-01
      3   0.977064D-01 -0.770080D-01  0.481458D+00 -0.157694D-01  0.107190D+01
                76            77            78            79            80 
      1   0.149530D+01  0.121942D+00 -0.691235D+00  0.861492D+00 -0.174280D+00
      2   0.121942D+00  0.195773D+01  0.197436D+01 -0.174280D+00  0.179829D+01
      3  -0.691235D+00  0.197436D+01  0.333807D+01 -0.293736D+00  0.169034D+01
                81            82            83            84            85 
      1  -0.293736D+00  0.418741D+01 -0.627900D+00  0.171739D-01  0.894015D+01
      2   0.169034D+01 -0.627900D+00 -0.307552D+01 -0.855138D+00  0.550783D+00
      3   0.508458D+01  0.171739D-01 -0.855138D+00 -0.167849D+01  0.124549D+00
                86            87            88            89            90 
      1   0.550783D+00  0.124549D+00  0.317812D+01 -0.338645D+00 -0.197140D+01
      2   0.172785D+01 -0.789266D+00 -0.338645D+00 -0.176420D+01  0.312812D+01
      3  -0.789266D+00  0.148521D+01 -0.197140D+01  0.312812D+01  0.120130D+01
                91            92            93            94            95 
      1  -0.396332D+01 -0.550802D+00 -0.213100D+00  0.486918D+01  0.133220D+00
      2  -0.550802D+00  0.257796D+01 -0.285983D+00  0.133220D+00  0.104227D+01
      3  -0.213100D+00 -0.285983D+00  0.698373D+00 -0.425171D+00 -0.107445D+01
                96            97            98            99           100 
      1  -0.425171D+00  0.480266D+00 -0.891780D+00  0.198511D+01  0.560915D+01
      2  -0.107445D+01 -0.891780D+00 -0.134385D+01  0.350543D+01  0.442463D+00
      3   0.125946D+01  0.198511D+01  0.350543D+01  0.279965D+01 -0.639662D+00
               101           102           103           104           105 
      1   0.442463D+00 -0.639662D+00  0.142224D+01 -0.328152D+00 -0.133756D+01
      2   0.322970D+01  0.205794D+00 -0.328152D+00  0.346140D+00 -0.535304D+00
      3   0.205794D+00  0.223863D+01 -0.133756D+01 -0.535304D+00 -0.110777D+00
               106           107           108           109           110 
      1  -0.391308D-01 -0.141371D+01  0.518678D+01 -0.318396D+01 -0.578739D+00
      2  -0.141371D+01  0.152742D+00  0.350752D+00 -0.578739D+00  0.224565D+01
      3   0.518678D+01  0.350752D+00  0.929376D+00 -0.384094D+00  0.909873D+00
               111           112           113           114           115 
      1  -0.384094D+00 -0.584296D+01 -0.870978D+00 -0.110311D+01 -0.214246D+01
      2   0.909873D+00 -0.870978D+00 -0.103235D+01  0.124168D+01 -0.655871D+00
      3   0.164614D+01 -0.110311D+01  0.124168D+01 -0.133672D+01  0.285531D+01
               116           117           118           119           120 
      1  -0.655871D+00  0.285531D+01  0.531822D+01  0.250049D+01  0.516972D+00
      2   0.202802D+01 -0.300174D+01  0.250049D+01 -0.235459D+01 -0.825034D-01
      3  -0.300174D+01 -0.126397D+01  0.516972D+00 -0.825034D-01 -0.888812D+00
               121           122           123           124           125 
      1  -0.740672D+01 -0.892563D+00  0.477810D+00 -0.558807D+00  0.119488D+01
      2  -0.892563D+00 -0.172560D+01  0.123575D+01  0.119488D+01  0.107912D+01
      3   0.477810D+00  0.123575D+01 -0.110360D+01 -0.727990D+00 -0.307599D+01
               126           127           128           129           130 
      1  -0.727990D+00 -0.312963D+01  0.223078D+01  0.198483D+00  0.232013D+01
      2  -0.307599D+01  0.223078D+01 -0.280108D+01 -0.308257D+00 -0.283950D+01
      3  -0.305654D+01  0.198483D+00 -0.308257D+00 -0.357922D+00 -0.486028D+00
               131           132           133           134           135 
      1  -0.283950D+01 -0.486028D+00  0.957600D-01 -0.379444D+00 -0.644229D-01
      2   0.630712D+01  0.877642D+00 -0.379444D+00  0.114883D+01  0.275671D+00
      3   0.877642D+00  0.890171D+00 -0.644229D-01  0.275671D+00  0.187173D+00
               136           137           138           139           140 
      1   0.248425D+01  0.273705D+01  0.818645D+00  0.243966D+01  0.383735D+01
      2   0.273705D+01  0.295272D+01  0.809481D+00  0.383735D+01  0.904964D+01
      3   0.818645D+00  0.809481D+00  0.589611D+00  0.100125D+01  0.216793D+01
               141           142           143           144           145 
      1   0.100125D+01  0.761888D+00  0.115958D+01  0.371359D+00  0.133298D+02
      2   0.216793D+01  0.115958D+01  0.236229D+01  0.703725D+00  0.932900D+00
      3   0.139402D+01  0.371359D+00  0.703725D+00  0.444526D+00  0.125914D+01
               146           147           148           149           150 
      1   0.932900D+00  0.125914D+01  0.793324D+00  0.161833D+01  0.439024D+00
      2   0.839563D+00  0.661057D-01  0.161833D+01  0.355054D+00  0.178384D+00
      3   0.661057D-01  0.100755D+01  0.439024D+00  0.178384D+00  0.139535D+00
               151           152           153           154           155 
      1   0.138753D+01  0.445294D+00  0.263154D+00  0.459163D+01 -0.376202D+01
      2   0.445294D+00  0.116549D+00  0.293959D-01 -0.376202D+01  0.354147D+01
      3   0.263154D+00  0.293959D-01  0.211762D+00 -0.633556D+00  0.501573D+00
               156           157           158           159           160 
      1  -0.633556D+00 -0.362434D+01  0.445570D+01  0.924984D+00 -0.591320D+00
      2   0.501573D+00  0.445570D+01 -0.683303D+01 -0.121759D+01  0.725809D+00
      3   0.599400D+00  0.924984D+00 -0.121759D+01 -0.962443D+00  0.223587D+00
               161           162           163           164           165 
      1   0.725809D+00  0.223587D+00 -0.168644D+01 -0.180494D+01 -0.588554D+00
      2  -0.141364D+01 -0.386319D+00 -0.180494D+01 -0.211415D+01 -0.726559D+00
      3  -0.386319D+00 -0.264007D+00 -0.588554D+00 -0.726559D+00 -0.457474D+00
               166           167           168           169           170 
      1  -0.158870D+01 -0.214198D+01 -0.647816D+00 -0.759468D+00 -0.867903D+00
      2  -0.214198D+01 -0.773358D+01 -0.218486D+01 -0.867903D+00 -0.230880D+01
      3  -0.647816D+00 -0.218486D+01 -0.143856D+01 -0.210828D+00 -0.785492D+00
               171 
      1  -0.210828D+00
      2  -0.785492D+00
      3  -0.558654D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.446159D+00  0.674705D+00  0.101785D+01 -0.244157D+00 -0.365934D+01
      2   0.663183D+01 -0.948222D+00  0.144077D+01 -0.172155D+00  0.334884D+01
      3   0.153448D+02 -0.443802D+01  0.168335D+01  0.242791D+01  0.106139D+02
                 6             7             8             9            10 
      1  -0.448497D+01 -0.251640D+01  0.393444D+01  0.603286D+00 -0.171710D+01
      2  -0.305728D+01 -0.286654D+01 -0.456265D+00  0.316054D+01  0.323931D+01
      3  -0.508051D+01  0.688961D+00 -0.154472D+01  0.301488D+01  0.167132D+01
                11            12            13            14            15 
      1  -0.281495D+00 -0.124120D+00  0.121578D+01  0.256747D+01  0.165605D+01
      2   0.204353D+01 -0.243988D+01  0.333610D+01 -0.604287D+01 -0.559511D+01
      3   0.902282D+00 -0.369643D+00  0.117132D+02 -0.305637D+01  0.823398D+01
                16            17            18            19            20 
      1   0.512708D+01  0.511435D+01 -0.169476D+01 -0.601485D+00  0.806432D+00
      2  -0.163557D+02 -0.935520D+01 -0.640528D+00 -0.674763D+01  0.235356D+00
      3  -0.112739D+01  0.731749D+01  0.595595D+01 -0.957219D+01 -0.400489D+01
                21            22            23            24            25 
      1   0.834270D+00  0.531247D+00 -0.220801D+00 -0.552003D+00  0.679222D+00
      2   0.499679D+01  0.548728D-01 -0.959571D+00  0.913537D-01  0.133373D+01
      3   0.224307D+00 -0.118292D+01  0.384018D+00  0.390173D+00  0.180497D+00
                26            27            28            29            30 
      1   0.119247D+00 -0.366098D+00 -0.100051D+01  0.939569D-01 -0.106562D+01
      2  -0.451331D+00 -0.238323D-01  0.135549D+01  0.442070D+00  0.265191D+01
      3   0.400624D+00 -0.363287D+00 -0.248500D+01 -0.272566D+01 -0.209386D+00
                31            32            33            34            35 
      1  -0.305886D+00  0.122940D+01 -0.272672D+01 -0.142631D+01  0.107430D+01
      2  -0.473133D+00  0.444798D+01  0.553636D+01  0.530337D+00  0.425306D+01
      3   0.463001D+00 -0.759050D+01 -0.524238D+01  0.839488D+00 -0.530327D+01
                36            37            38            39            40 
      1  -0.257211D+01  0.387239D+01 -0.319421D+01 -0.152396D+01 -0.155008D+00
      2   0.726261D+01 -0.133021D+02 -0.480852D+01  0.855319D+01 -0.670786D+01
      3  -0.464033D+01 -0.355333D+01 -0.111575D+02  0.104050D+01 -0.482214D+01
                41            42            43            44            45 
      1   0.234126D+01 -0.105895D+02 -0.204336D+01 -0.507180D+01 -0.294182D+01
      2   0.108214D+02  0.603351D+01  0.631655D+01  0.720786D+01  0.404616D+01
      3   0.114774D+02 -0.115166D+02  0.156665D+01 -0.101195D+02 -0.546884D+01
                46            47            48            49            50 
      1  -0.202762D+00 -0.371247D+00 -0.241085D+00 -0.235469D+01 -0.364354D+01
      2  -0.301091D+01 -0.154916D+01 -0.124223D+01 -0.195129D+01  0.434257D+00
      3  -0.358835D+01  0.677784D+01  0.101479D+01  0.179933D+02  0.185634D+01
                51            52            53            54            55 
      1   0.715102D+00  0.881795D-03  0.980557D+01  0.233582D+01 -0.170359D+01
      2   0.761487D+00 -0.132491D+02  0.296777D+00  0.720016D+00 -0.220662D+01
      3  -0.153170D+01  0.848691D+00  0.102517D+01 -0.120471D+00 -0.505947D+01
                56            57            58            59            60 
      1   0.191880D+01  0.110878D+01  0.131681D+01 -0.583288D+01 -0.795126D+00
      2   0.262625D+01 -0.193060D+01  0.323684D+01 -0.744336D+01  0.464865D+01
      3   0.496755D+01 -0.161590D+01  0.666500D+01 -0.162523D+02  0.645541D+01
                61            62            63            64            65 
      1   0.554191D+00  0.219297D+01  0.365304D+00 -0.682297D+00 -0.150856D+01
      2  -0.242441D+01  0.330190D+01 -0.399395D+01  0.989061D+01  0.827661D+00
      3  -0.773292D+00  0.449689D+01 -0.397761D+01  0.629732D+01 -0.544207D+01
                66            67            68            69            70 
      1  -0.157700D+01 -0.136215D+01 -0.614657D+00 -0.224621D+00 -0.123909D+01
      2   0.661952D+01  0.168469D+01 -0.313460D+00  0.382057D+00  0.181973D+01
      3   0.307282D+00 -0.161332D+01 -0.214153D+01  0.146751D+01  0.140157D-01
                71            72            73            74            75 
      1   0.993447D+00 -0.103649D+00  0.146943D+01  0.142213D+01  0.573858D+00
      2  -0.285843D+00  0.901729D+00 -0.192194D+01 -0.882801D+00 -0.231199D+01
      3   0.597110D+00  0.150142D+01  0.192870D+01  0.967569D+00 -0.159877D+00
                76            77            78            79            80 
      1   0.500514D+00  0.534724D+01  0.373834D+01 -0.214619D+00  0.598717D+01
      2  -0.130963D+01 -0.569893D+01 -0.802081D+01 -0.266844D+01 -0.473216D+01
      3   0.159374D+01  0.534951D+01  0.566618D+01 -0.593618D+00  0.518365D+01
                81            82            83            84            85 
      1   0.645702D+01 -0.587237D+00  0.316127D+00  0.210451D+01 -0.835048D+00
      2  -0.122104D+02  0.227493D+01  0.264226D+00 -0.990739D+00  0.424562D+01
      3   0.512987D+01  0.259297D+01 -0.534896D+00  0.135268D+01  0.400186D+01
                86            87            88            89            90 
      1   0.300626D+00 -0.213559D+01  0.686449D+01  0.331504D+01  0.262450D+00
      2   0.116659D+01  0.648626D+00 -0.120997D+02 -0.365144D-01 -0.312097D+00
      3  -0.671381D+01  0.842156D+00 -0.812413D+00 -0.925600D+00 -0.575340D+01
                91            92            93            94            95 
      1   0.958250D+00  0.918362D+00 -0.114658D+01  0.143780D+01 -0.138311D+00
      2  -0.459205D+00  0.241619D+01  0.886026D+00  0.169143D+01 -0.319784D+01
      3  -0.241326D+00 -0.114906D+02 -0.267337D+01  0.415988D+01 -0.113313D+01
                96            97            98            99           100 
      1  -0.230321D+01 -0.516882D+01  0.103445D+01 -0.130173D+01  0.204099D+00
      2   0.328805D+01 -0.827741D+01  0.844436D+01  0.494453D+01  0.184245D+00
      3   0.200574D+01 -0.550308D+00  0.312081D+01 -0.426230D+01 -0.126187D+01
               101           102           103           104           105 
      1  -0.103227D+01 -0.790476D+00 -0.922039D+00 -0.311741D+01  0.101314D+01
      2  -0.125997D+00  0.606071D+01 -0.487772D+01 -0.198326D+00  0.183147D+00
      3  -0.679877D+01 -0.424397D-01  0.118321D+02  0.761163D+00  0.147327D+01
               106           107           108           109           110 
      1  -0.175659D+01  0.112897D+02  0.298846D+01 -0.862214D+00 -0.698110D+00
      2   0.738579D+01  0.185724D+01  0.173994D+01 -0.114344D+01  0.255609D+01
      3   0.461340D+01  0.132137D+01 -0.634195D-02  0.114848D+01 -0.117253D+02
               111           112           113           114           115 
      1   0.194253D+01 -0.185772D+01 -0.563198D-01 -0.195153D+01  0.700296D+01
      2   0.271627D+01 -0.131358D+01  0.372064D+01 -0.381535D+01 -0.468298D+01
      3  -0.244621D+01  0.589878D+01 -0.205045D+00 -0.232708D+01 -0.615642D+00
               116           117           118           119           120 
      1   0.303186D+01  0.172074D+01 -0.132576D+00  0.151999D+01 -0.145590D+01
      2  -0.101054D+02 -0.339264D+01  0.389393D+01  0.169682D+01 -0.374096D+00
      3  -0.457596D+01  0.384154D+01 -0.142911D+01 -0.252795D+01 -0.233188D+01
               121           122           123           124           125 
      1   0.162608D+01  0.516350D+00 -0.230207D+01 -0.538082D+01  0.172109D+01
      2   0.208481D+01 -0.104075D+01 -0.983303D+00 -0.137438D+02 -0.102645D+01
      3   0.151268D+01  0.727521D+01  0.133137D+00 -0.387474D+01 -0.105554D+01
               126           127           128           129           130 
      1  -0.548696D+00  0.425793D+00 -0.680182D+00  0.194643D+01  0.154834D+00
      2  -0.368409D+01  0.159366D+01 -0.782482D+00  0.374287D+00 -0.742140D+00
      3   0.514476D+01 -0.897429D+01  0.376722D+01  0.138262D+00  0.673163D+01
               131           132           133           134           135 
      1  -0.731721D-01 -0.316359D+01 -0.288387D+00  0.165549D+01 -0.161302D-01
      2   0.125497D+01 -0.867855D+00 -0.133207D+01  0.585126D+00 -0.352772D+00
      3  -0.538237D+01 -0.118083D+01 -0.240470D+00 -0.701110D+00 -0.104811D+00
               136           137           138           139           140 
      1  -0.248232D+00  0.372733D-01 -0.177588D+01 -0.204805D+00  0.573978D+00
      2   0.461472D+00  0.745410D+00  0.182459D+01  0.677695D+00  0.324373D+01
      3  -0.848918D+00 -0.255493D+01 -0.481446D+00 -0.157520D+01 -0.130523D+02
               141           142           143           144           145 
      1  -0.413945D+01  0.543311D+00  0.180168D+01 -0.737091D+00 -0.122863D+00
      2   0.354868D+01 -0.282957D+00  0.345045D+00  0.995561D+00  0.173061D+01
      3  -0.286343D+01 -0.578143D+00 -0.359266D+01 -0.817679D+00 -0.231054D+00
               146           147           148           149           150 
      1   0.466223D+00 -0.450833D+00  0.153640D+00  0.252683D-01 -0.343499D+00
      2  -0.678197D-01  0.624293D+01  0.164276D+01  0.382757D+00  0.717884D+00
      3  -0.520157D+01  0.155786D+00 -0.390361D+01 -0.850804D+00 -0.419004D+00
               151           152           153           154           155 
      1   0.198549D+00  0.463946D+00 -0.404490D-01  0.267476D+00 -0.698524D+00
      2  -0.209017D+01 -0.328098D-01  0.605497D+00  0.135185D+00 -0.142908D+00
      3  -0.113316D+01 -0.718325D+00 -0.148910D+00  0.153116D+01 -0.466585D+01
               156           157           158           159           160 
      1   0.212664D+01  0.285455D+00  0.304891D+00 -0.332116D+01 -0.871728D+00
      2   0.260329D+01  0.775263D+00 -0.156465D+01 -0.340200D+01 -0.459132D+00
      3  -0.224607D+00 -0.342119D+01  0.112501D+02  0.154772D+01 -0.110704D+01
               161           162           163           164           165 
      1   0.138823D+01 -0.428499D+00  0.217264D+00  0.290605D+00 -0.150343D+01
      2   0.338954D+00 -0.487369D+00 -0.188337D+01 -0.127928D+01 -0.224186D-01
      3   0.252836D+01  0.535116D+00  0.616182D+01  0.370918D+01  0.137117D+01
               166           167           168           169           170 
      1   0.303291D+00  0.883554D+00 -0.374788D+01  0.503814D+00  0.232511D+01
      2  -0.188257D+01 -0.236144D+01 -0.981129D-01 -0.202895D+01 -0.716232D+00
      3   0.670047D+01  0.797845D+01  0.266099D+01  0.265452D+01  0.254524D+01
               171 
      1  -0.715416D+00
      2   0.634648D-02
      3   0.540430D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.377968D+02  0.302617D+01  0.509145D-01 -0.622737D+01 -0.589985D+01
      2   0.205098D+02 -0.379382D+01 -0.142717D+01  0.637268D+00  0.132062D+02
      3   0.172870D+02  0.767647D+00  0.137625D+01  0.559010D+01 -0.730640D+01
      4   0.727987D+01  0.445093D+01 -0.161657D+01  0.184809D+02 -0.208600D+02
      5  -0.620312D+01 -0.163630D+01  0.579154D+01 -0.101946D+02  0.110926D+02
      6  -0.134297D+01 -0.153750D+00 -0.228908D+01  0.415402D+01 -0.639588D+01
                 6             7             8             9            10 
      1   0.592439D+00  0.148255D+01  0.256522D+01 -0.356522D+01  0.103831D+02
      2   0.175107D+01 -0.128961D+01 -0.179258D+01 -0.488345D+01 -0.228103D+01
      3  -0.234351D+01 -0.192937D+00 -0.772641D+00  0.844867D+01 -0.810205D+01
      4   0.118098D+02 -0.712739D+01  0.431839D+01 -0.579576D+01 -0.525361D+01
      5  -0.694077D+01  0.120398D+02 -0.627478D+01  0.925840D+01  0.575406D+01
      6   0.120191D+02 -0.155645D+01  0.752059D+01 -0.647725D+01  0.255904D+01
                11            12            13            14            15 
      1   0.978412D+00 -0.147089D+01  0.420147D+01 -0.345227D+00  0.650758D+01
      2   0.152840D+01 -0.767881D+00  0.208932D+01 -0.209962D+00 -0.108049D+02
      3  -0.250681D+01  0.223878D+01 -0.629079D+01  0.555190D+00  0.429737D+01
      4  -0.122168D+02  0.404121D+01 -0.233062D+02 -0.377751D+01 -0.174039D+02
      5   0.457652D+01 -0.147647D+02  0.134978D+02 -0.164578D+02 -0.132572D+02
      6   0.558898D+00 -0.161571D+01 -0.478323D+01 -0.562976D+01 -0.147431D+02
                16            17            18            19            20 
      1   0.117672D+02  0.755361D+01 -0.210890D+01  0.660660D+02 -0.998926D+01
      2  -0.100700D+02 -0.340496D+01  0.473806D+01 -0.345555D+02  0.416497D+01
      3  -0.169715D+01 -0.414865D+01 -0.262915D+01 -0.315105D+02  0.582429D+01
      4   0.131301D+02 -0.985882D+01 -0.200577D+02 -0.242315D+02  0.117058D+02
      5  -0.272137D+02 -0.185599D+02 -0.886013D+00  0.152673D+02 -0.362673D+01
      6  -0.119653D+02 -0.115219D+02 -0.868924D+00 -0.264234D+01  0.154562D+01
                21            22            23            24            25 
      1   0.447108D+01 -0.307071D-01  0.370399D+01  0.382029D+00 -0.121491D+01
      2  -0.350508D+01 -0.149766D+01 -0.604070D+00 -0.183960D+00 -0.122384D+00
      3  -0.965997D+00  0.152837D+01 -0.309992D+01 -0.198069D+00  0.133730D+01
      4  -0.316220D+01  0.804140D+01 -0.396533D+01  0.250241D+00  0.121086D+01
      5   0.879216D+01  0.167365D+00  0.803663D+00 -0.650965D+00  0.670449D+01
      6  -0.188526D+01  0.143560D+01 -0.392909D+00  0.167431D+01 -0.140373D+01
                26            27            28            29            30 
      1   0.958356D+00  0.329520D+01  0.316902D+01  0.230948D+01  0.303630D+01
      2   0.132474D+00 -0.266650D+01 -0.194639D+01 -0.107955D+01 -0.156078D+01
      3  -0.109083D+01 -0.628700D+00 -0.122263D+01 -0.122993D+01 -0.147552D+01
      4  -0.437112D+00 -0.194492D+01  0.801524D+01  0.899085D+01  0.381139D+01
      5  -0.163919D+01  0.251400D+01  0.630562D+01  0.379056D+01  0.976776D+01
      6   0.100764D+01 -0.370792D+00  0.468961D+01  0.177418D+01  0.261409D+01
                31            32            33            34            35 
      1   0.206861D+01 -0.730727D+01 -0.570969D+01  0.151451D+01 -0.618409D+01
      2  -0.782591D+00  0.762020D+01  0.393027D+01 -0.202037D+01  0.150090D+01
      3  -0.128601D+01 -0.312930D+00  0.177942D+01  0.505862D+00  0.468318D+01
      4   0.115541D+02  0.189696D+02  0.117198D+02  0.540162D+01  0.117706D+02
      5   0.517693D+01  0.110471D+02  0.127860D+02  0.129879D+02  0.117883D+02
      6   0.431892D+01  0.131322D+02  0.124527D+02  0.571948D+01  0.121766D+02
                36            37            38            39            40 
      1  -0.832898D+01 -0.625158D+02 -0.168036D+02  0.598717D+01 -0.147089D+02
      2  -0.332039D+01  0.256378D+02  0.124806D+02  0.512625D+00  0.804797D+01
      3   0.116494D+02  0.368781D+02  0.432308D+01 -0.649980D+01  0.666092D+01
      4   0.126886D+02 -0.217831D+02  0.816997D+01 -0.289510D+01  0.111486D+02
      5   0.183984D+02  0.872463D+01 -0.477333D+00  0.113128D+02 -0.650122D+01
      6   0.136952D+02  0.172796D+01 -0.717355D+01  0.421793D+01 -0.542547D+01
                41            42            43            44            45 
      1   0.218915D+02 -0.234218D+01 -0.579052D+01 -0.343810D+01  0.111737D+02
      2  -0.139690D+02  0.158850D+02  0.893897D+01  0.128403D+02 -0.434871D+01
      3  -0.792249D+01 -0.135429D+02 -0.314845D+01 -0.940219D+01 -0.682494D+01
      4  -0.674293D+01  0.130429D+02 -0.129333D+02  0.819472D+01  0.187242D+02
      5   0.866070D+01  0.146089D+02  0.235099D+02  0.167527D+02 -0.382499D+01
      6   0.727207D+01 -0.456847D+01  0.998901D+01 -0.587640D+00 -0.980875D+01
                46            47            48            49            50 
      1  -0.165881D+02 -0.795428D+00 -0.166491D+01  0.219742D+01 -0.632220D+01
      2   0.428829D+01  0.202206D+00  0.420396D+00 -0.393836D+01  0.104772D+02
      3   0.122998D+02  0.593222D+00  0.124451D+01  0.174094D+01 -0.415500D+01
      4   0.121015D+02  0.523760D+01 -0.110758D+00 -0.682074D+01 -0.276337D+01
      5  -0.825561D+01 -0.837185D+00  0.897006D+00 -0.476344D+01  0.123290D+01
      6  -0.389388D+01  0.595419D+00  0.102992D+01 -0.256210D+01  0.476331D+01
                51            52            53            54            55 
      1  -0.519982D+00 -0.935261D+01 -0.201255D+01 -0.897096D+01 -0.840717D+00
      2   0.589651D+01  0.138388D+01  0.342397D+01 -0.336040D+01  0.289812D+01
      3  -0.537653D+01  0.796873D+01 -0.141142D+01  0.123314D+02 -0.205740D+01
      4   0.841123D+00 -0.607828D+01  0.171016D+00  0.292050D+01  0.212113D+01
      5   0.143235D+01  0.450786D+01  0.229658D+01 -0.798975D+00  0.558023D+00
      6   0.288335D-01 -0.506402D-02  0.637260D+01 -0.340897D+01 -0.297207D+01
                56            57            58            59            60 
      1   0.101985D+02 -0.527433D+01  0.102896D+02 -0.238128D+02  0.986052D+01
      2  -0.860594D+01  0.189474D+01 -0.666378D+01  0.269220D+02 -0.699578D+01
      3  -0.159260D+01  0.337960D+01 -0.362586D+01 -0.310923D+01 -0.286474D+01
      4  -0.204681D+01  0.104317D+01  0.284931D+01  0.227524D+02 -0.941362D+01
      5  -0.596704D+00 -0.179691D+01 -0.360841D+01 -0.676127D+01  0.637668D+01
      6   0.556457D+01 -0.424007D+01  0.183764D+01 -0.189635D+02  0.118652D+02
                61            62            63            64            65 
      1  -0.206487D+01  0.756830D+01 -0.959544D+01  0.870423D+02  0.107274D+02
      2   0.468519D+00 -0.413731D+01  0.330160D+01 -0.427772D+02 -0.327260D+01
      3   0.159635D+01 -0.343099D+01  0.629384D+01 -0.442651D+02 -0.745484D+01
      4   0.900092D+00 -0.582972D+01  0.362595D+01  0.293454D+02  0.151078D+02
      5   0.699083D+00  0.349973D+01 -0.475134D+01 -0.234104D+02 -0.440486D+01
      6  -0.216626D+01  0.105572D+02 -0.697044D+01 -0.427857D+01 -0.292781D+01
                66            67            68            69            70 
      1  -0.279040D+01  0.697646D+01  0.582190D+01  0.479425D+00  0.756321D+01
      2   0.434311D+01 -0.105965D+01 -0.100212D+01 -0.123837D+01 -0.143970D+01
      3  -0.155271D+01 -0.591680D+01 -0.481978D+01  0.758947D+00 -0.612351D+01
      4  -0.289850D+01  0.154724D+02  0.804751D+01 -0.245650D+01  0.287560D+01
      5   0.133160D+02 -0.188122D+01 -0.344301D+01  0.795523D+00  0.942026D+01
      6   0.327743D+01 -0.234456D+01 -0.221408D+01  0.248482D+01  0.244439D+01
                71            72            73            74            75 
      1   0.872488D+00  0.587993D+01  0.369519D+01 -0.100512D+01 -0.599910D+01
      2  -0.715018D+00 -0.434870D+01 -0.335338D+01 -0.844125D-01  0.305326D+00
      3  -0.157470D+00 -0.153123D+01 -0.341812D+00  0.108953D+01  0.569378D+01
      4   0.986345D+00  0.937967D+00 -0.531096D+00 -0.119317D+01  0.146495D+00
      5   0.992783D-01 -0.676437D+00 -0.246048D+01  0.158737D+01 -0.610486D-01
      6   0.154635D+01  0.513203D+00  0.153655D+01  0.175736D+01 -0.345256D+00
                76            77            78            79            80 
      1  -0.442875D+01 -0.677309D+01 -0.549162D+01 -0.473793D+01 -0.384967D+01
      2   0.326445D+01 -0.560172D+00 -0.744639D+01  0.329470D+01 -0.614066D+01
      3   0.116429D+01  0.733326D+01  0.129380D+02  0.144323D+01  0.999034D+01
      4   0.413890D+00 -0.101275D+02 -0.962976D+01  0.196956D+00 -0.905041D+01
      5   0.633768D+01 -0.778877D+01 -0.145588D+02  0.585230D+01 -0.717177D+01
      6   0.133054D+00  0.689067D+01  0.712766D+01 -0.300706D+00  0.659508D+01
                81            82            83            84            85 
      1  -0.138461D+02  0.221303D+01  0.147769D+02  0.458051D+01 -0.619733D+01
      2  -0.122689D+02 -0.387380D+01 -0.105408D+02 -0.100456D+01  0.135987D+02
      3   0.261150D+02  0.166077D+01 -0.423612D+01 -0.357596D+01 -0.740135D+01
      4  -0.912795D+01  0.753392D+01 -0.126105D+02 -0.872870D+00  0.784826D+00
      5  -0.204341D+02  0.399040D+01 -0.160370D+01 -0.121708D+01  0.333443D+01
      6   0.479833D+01  0.239387D+01 -0.251701D+01 -0.430021D+01  0.829544D+01
                86            87            88            89            90 
      1   0.136319D+01  0.382405D+01 -0.734823D+00  0.620801D+01 -0.134936D+02
      2  -0.445850D+01 -0.354665D+01  0.581264D+01 -0.859491D+01  0.245294D+01
      3   0.309530D+01 -0.277402D+00 -0.507782D+01  0.238690D+01  0.110407D+02
      4   0.139715D+02  0.285653D+01  0.271142D+01  0.435915D+00  0.315718D+01
      5   0.285548D+01 -0.500489D-02  0.475250D+01  0.254321D+01 -0.149694D+01
      6  -0.532080D+01  0.442431D+01 -0.226984D+01  0.120429D+02  0.121781D+00
                91            92            93            94            95 
      1   0.654775D+01 -0.199981D+02 -0.262388D+01  0.228121D+02  0.113812D+02
      2  -0.602573D+01  0.130285D+02  0.863911D+00 -0.197242D+02 -0.136495D+02
      3  -0.522022D+00  0.696960D+01  0.175997D+01 -0.308783D+01  0.226835D+01
      4  -0.115060D+02 -0.599300D+01 -0.484960D+01  0.807073D+01 -0.475984D+01
      5  -0.656350D+01 -0.330626D+01 -0.135032D+01  0.656367D+00 -0.726738D+01
      6  -0.563904D+01 -0.200708D+01  0.274711D+01 -0.558828D+01 -0.113069D+02
                96            97            98            99           100 
      1   0.413353D+01  0.471276D+01 -0.334617D+00 -0.544103D+01 -0.136977D+02
      2  -0.664618D+01 -0.820650D+01 -0.862687D+01 -0.538331D+01  0.958817D+01
      3   0.251265D+01  0.349374D+01  0.896149D+01  0.108243D+02  0.410951D+01
      4  -0.669908D+01 -0.463825D+01 -0.114916D+02  0.129444D+02 -0.286511D+01
      5   0.693109D+01  0.116683D+02  0.133858D+02  0.990830D+01 -0.605885D+01
      6   0.280318D+01  0.553813D+01  0.124505D+02  0.344716D+01  0.153935D+01
               101           102           103           104           105 
      1  -0.244624D+01 -0.678284D+01  0.726383D+01 -0.196625D+02 -0.843342D+01
      2   0.203544D+01  0.363148D+01 -0.480065D+01  0.160112D+02  0.964751D+01
      3   0.410802D+00  0.315135D+01 -0.246318D+01  0.365124D+01 -0.121409D+01
      4   0.224927D+02  0.140808D+01 -0.170279D+02 -0.461584D+01 -0.428675D+01
      5   0.121205D+01  0.140556D+02 -0.132668D+02 -0.168771D+01 -0.146015D+00
      6   0.951957D+00  0.176405D+01 -0.323502D+01  0.350044D+01 -0.168159D+01
               106           107           108           109           110 
      1  -0.716770D+01 -0.951207D+01  0.137429D+02  0.154097D+01  0.214525D+02
      2   0.154180D+01  0.714502D+01 -0.160027D+02 -0.506513D+01 -0.128953D+02
      3   0.562590D+01  0.236705D+01  0.225989D+01  0.352417D+01 -0.855718D+01
      4  -0.140763D+02 -0.894062D+00  0.880836D+00  0.177220D+02  0.156942D+01
      5   0.332427D+02  0.241456D+01  0.493900D+01 -0.229688D-01  0.133440D+01
      6   0.838913D+00  0.468803D+01 -0.408730D+01  0.736261D+00 -0.218004D+01
               111           112           113           114           115 
      1   0.594086D+01 -0.254694D+02  0.411218D+01  0.435387D+00 -0.902004D+01
      2  -0.468619D+00  0.229752D+02 -0.767334D+01 -0.946756D+00  0.110261D+02
      3  -0.547224D+01  0.249416D+01  0.356116D+01  0.511369D+00 -0.200603D+01
      4   0.327236D+01  0.251100D+01  0.114584D+02  0.103283D+02 -0.589607D+00
      5   0.506984D+01 -0.634732D+01  0.869481D+01 -0.741928D+01  0.177103D+02
      6  -0.497541D+01  0.780065D+01 -0.646535D+01  0.417181D+01 -0.666517D+01
               116           117           118           119           120 
      1   0.560421D+01  0.197277D+01  0.856434D+01 -0.991667D+01 -0.115293D+00
      2  -0.910071D+01 -0.750441D+01 -0.622084D+01  0.820955D+01 -0.103314D+01
      3   0.349651D+01  0.553164D+01 -0.234351D+01  0.170712D+01  0.114843D+01
      4   0.106388D+02 -0.140616D+02 -0.991846D+01 -0.180595D+02 -0.442735D+01
      5  -0.143903D+02 -0.815878D+01  0.168533D+01 -0.317554D+01 -0.352106D+01
      6   0.115272D+02 -0.153282D+01 -0.213627D+01 -0.194455D+01  0.296463D+01
               121           122           123           124           125 
      1   0.331885D+01  0.857455D+01  0.618806D+01  0.334426D+01  0.369409D+01
      2  -0.101940D+02 -0.106245D+02 -0.756500D+01 -0.585465D+01 -0.106168D+02
      3   0.687516D+01  0.204994D+01  0.137694D+01  0.251038D+01  0.692274D+01
      4   0.119854D+02 -0.126146D+02 -0.247526D+01 -0.703571D+00 -0.430081D+01
      5  -0.128910D+01 -0.303893D+01 -0.397772D+00  0.132696D+01 -0.520027D+01
      6  -0.690270D+01 -0.114855D+02  0.153445D+01  0.160922D+01  0.110485D+02
               126           127           128           129           130 
      1  -0.146519D+02 -0.502807D+01  0.792975D+01  0.975734D+00  0.885442D+01
      2  -0.350481D+00  0.701144D+01 -0.110341D+02 -0.977325D+00 -0.115900D+02
      3   0.150024D+02 -0.198336D+01  0.310433D+01  0.159041D-02  0.273562D+01
      4  -0.671275D+01 -0.848805D+01  0.827934D+01  0.111947D+01  0.772023D+01
      5  -0.599198D+01 -0.805130D+00  0.132042D+01  0.116310D+01  0.118980D+01
      6   0.513046D+01  0.912580D+00 -0.123794D+01 -0.224644D+01 -0.231010D+01
               131           132           133           134           135 
      1  -0.224155D+02 -0.361567D+01  0.141273D+01 -0.388112D+01 -0.106366D+01
      2   0.300211D+02  0.314515D+01 -0.195997D+01  0.476223D+01  0.162974D+01
      3  -0.760560D+01  0.470523D+00  0.547235D+00 -0.881108D+00 -0.566078D+00
      4  -0.863389D+01 -0.101812D+01  0.106687D+01 -0.130506D+01 -0.175752D+01
      5  -0.141260D+01 -0.124152D+01  0.114973D+01 -0.824504D+00 -0.855935D+00
      6   0.490050D+01  0.533579D+01 -0.112405D+01  0.252723D+01  0.138933D+01
               136           137           138           139           140 
      1   0.616359D+01  0.533147D+01  0.127690D+01 -0.679791D+00 -0.142538D+02
      2   0.274972D+01  0.456983D+01  0.201816D+00  0.110043D+02  0.346154D+02
      3  -0.891331D+01 -0.990130D+01 -0.147872D+01 -0.103245D+02 -0.203616D+02
      4   0.200381D+02  0.239378D+02  0.600678D+01  0.247638D+02  0.463652D+02
      5   0.541877D+01  0.598520D+01  0.534840D+01  0.607546D+01  0.105172D+02
      6   0.396161D+01  0.452141D+01  0.333945D+01  0.607082D+01  0.138683D+02
               141           142           143           144           145 
      1  -0.357976D+01  0.446563D+00 -0.291700D+01 -0.232243D+01  0.100834D+03
      2   0.558382D+01  0.198100D+01  0.709234D+01  0.292031D+01 -0.572801D+02
      3  -0.200406D+01 -0.242756D+01 -0.417534D+01 -0.597876D+00 -0.435536D+02
      4   0.107383D+02  0.704222D+01  0.124846D+02  0.474808D+01  0.951248D+01
      5   0.684656D+01  0.277359D+01  0.419389D+01  0.303212D+01  0.124285D+02
      6   0.939165D+01  0.277052D+01  0.631778D+01  0.403115D+01 -0.244455D+01
               146           147           148           149           150 
      1   0.671360D+01  0.803326D+01  0.466397D+01  0.959557D+01  0.183032D+01
      2  -0.334746D+01 -0.546644D+01 -0.201159D+01 -0.465985D+01 -0.153095D+01
      3  -0.336614D+01 -0.256682D+01 -0.265238D+01 -0.493572D+01 -0.299367D+00
      4   0.894083D+01  0.441190D+00  0.153237D+02  0.303574D+01  0.149970D+01
      5   0.510785D+00  0.108765D+02  0.351182D+01  0.170789D+01  0.121688D+01
      6   0.385501D+00  0.259672D+00  0.105116D+01 -0.227176D+00  0.150375D+01
               151           152           153           154           155 
      1   0.101049D+02  0.213362D+01  0.437724D+01  0.195799D+02 -0.127598D+02
      2  -0.598110D+01 -0.123386D+01 -0.302559D+01 -0.265540D+01 -0.177742D+01
      3  -0.412376D+01 -0.899762D+00 -0.135165D+01 -0.169245D+02  0.145372D+02
      4   0.398836D+01  0.151666D+01  0.934371D+00 -0.321396D+02  0.303406D+02
      5   0.517931D+01  0.642612D+00  0.228027D+01 -0.611248D+01  0.440602D+01
      6   0.210324D+00  0.755485D+00  0.382084D+00  0.217863D+01 -0.196939D+01
               156           157           158           159           160 
      1  -0.252260D+01 -0.747726D+01  0.159614D+01  0.575190D+00 -0.487196D+00
      2   0.795125D+00 -0.748451D+01  0.188175D+02  0.128062D+01 -0.145276D+01
      3   0.172747D+01  0.149618D+02 -0.204137D+02 -0.185581D+01  0.193996D+01
      4   0.436196D+01  0.331122D+02 -0.451431D+02 -0.783959D+01  0.585829D+01
      5   0.592391D+01  0.674766D+01 -0.821014D+01 -0.627205D+01  0.278153D+01
      6  -0.311324D+01 -0.431694D+01  0.613376D+01  0.611866D+01 -0.214506D+01
               161           162           163           164           165 
      1  -0.334684D+00 -0.472524D+00 -0.553870D+01 -0.821523D+01 -0.320055D+01
      2   0.311691D+01  0.116114D+01  0.645471D+01  0.945456D+01  0.228850D+01
      3  -0.278223D+01 -0.688618D+00 -0.916010D+00 -0.123932D+01  0.912053D+00
      4  -0.781566D+01 -0.372379D+01  0.418296D+01  0.725138D+01  0.171480D+01
      5  -0.302148D+01 -0.183588D+01  0.119081D+01  0.147525D+01  0.171418D+01
      6   0.339981D+01  0.211095D+01  0.311424D+01  0.445621D+01  0.279639D+01
               166           167           168           169           170 
      1  -0.818467D+01 -0.308181D+02 -0.947219D+01 -0.273201D+01 -0.904998D+01
      2   0.964466D+01  0.388604D+02  0.849697D+01  0.299556D+01  0.999358D+01
      3  -0.145999D+01 -0.804228D+01  0.975222D+00 -0.263546D+00 -0.943599D+00
      4   0.526718D+01  0.539615D+00 -0.433124D+00  0.176427D+01  0.466248D+00
      5   0.115677D+01 -0.544835D+00 -0.104549D+00  0.125194D+01  0.601706D+00
      6   0.380207D+01  0.144747D+02  0.937470D+01  0.161777D+01  0.593137D+01
               171 
      1  -0.412602D+01
      2   0.371465D+01
      3   0.411377D+00
      4   0.161996D+01
      5   0.811875D+00
      6   0.443957D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.675629D+00      0.171728D+01      0.572822D+01
   x         -0.453322D+00     -0.115223D+01     -0.384342D+01
   y         -0.449613D+00     -0.114280D+01     -0.381198D+01
   z          0.220954D+00      0.561610D+00      0.187333D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.949338D+02      0.140677D+02      0.156525D+02
   aniso      0.504491D+02      0.747578D+01      0.831793D+01
   xx         0.121710D+03      0.180355D+02      0.200672D+02
   yx         0.123939D+01      0.183659D+00      0.204349D+00
   yy         0.977839D+02      0.144901D+02      0.161224D+02
   zx         0.142346D+01      0.210935D+00      0.234697D+00
   zy         0.658964D+01      0.976484D+00      0.108648D+01
   zz         0.653078D+02      0.967761D+01      0.107678D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102006D+03      0.151157D+02      0.168185D+02
   aniso      0.525705D+02      0.779015D+01      0.866771D+01
   xx         0.130345D+03      0.193151D+02      0.214910D+02
   yx         0.113609D+01      0.168351D+00      0.187316D+00
   yy         0.104355D+03      0.154639D+02      0.172059D+02
   zx         0.143095D+01      0.212045D+00      0.235932D+00
   zy         0.653398D+01      0.968236D+00      0.107731D+01
   zz         0.713177D+02      0.105682D+02      0.117587D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -4.26489402          1.77909395          1.12281617
     6         -2.27859880          0.31983221          2.22092033
     1         -5.33889901          2.38031343          2.46235911
     1         -3.05056875         -1.47594418          2.91585410
     6         -1.06817656          1.72764595          4.43270801
     6         -0.35986096         -0.26988605          0.19277802
     1          0.44991963          0.61016929          5.26663239
     1         -2.46434331          2.10973542          5.90833549
     1         -0.28050423          3.51819641          3.78126826
     6          0.02177638          1.35539963         -1.84092584
     6          1.87242550          0.83044597         -3.62921229
     6          3.36533722         -1.31826723         -3.40363381
     6          2.98882733         -2.95143712         -1.38079957
     6          1.13308299         -2.42844570          0.39972143
     1         -1.15574686          3.01408543         -2.02267171
     1          2.14509964          2.10310151         -5.20790339
     1          4.80293561         -1.72546622         -4.80049219
     1          4.12967336         -4.63962440         -1.19746686
     1          0.83268800         -3.71905054          1.96222412

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.675629D+00      0.171728D+01      0.572822D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.675629D+00      0.171728D+01      0.572822D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.949338D+02      0.140677D+02      0.156525D+02
   aniso      0.504491D+02      0.747578D+01      0.831793D+01
   xx         0.913450D+02      0.135359D+02      0.150608D+02
   yx        -0.173592D+02     -0.257237D+01     -0.286215D+01
   yy         0.907608D+02      0.134494D+02      0.149644D+02
   zx        -0.219993D+02     -0.325996D+01     -0.362719D+01
   zy        -0.421763D+01     -0.624989D+00     -0.695394D+00
   zz         0.102696D+03      0.152179D+02      0.169322D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102006D+03      0.151157D+02      0.168185D+02
   aniso      0.525705D+02      0.779015D+01      0.866771D+01
   xx         0.986424D+02      0.146173D+02      0.162639D+02
   yx        -0.181367D+02     -0.268759D+01     -0.299034D+01
   yy         0.973108D+02      0.144200D+02      0.160444D+02
   zx        -0.229862D+02     -0.340620D+01     -0.378991D+01
   zy        -0.384245D+01     -0.569392D+00     -0.633534D+00
   zz         0.110065D+03      0.163099D+02      0.181472D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-05\Freq\RB3LYP\Gen\C8H10O1\PIERPA\12-Aug-2021\0\\#P B
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 THE MORE POWERFUL THE METHOD, THE MORE CATASTROPHIC THE ERRORS.
     -- M.D. KAMEN
 Job cpu time:       0 days  1 hours 54 minutes  5.3 seconds.
 Elapsed time:       0 days  0 hours 14 minutes 17.6 seconds.
 File lengths (MBytes):  RWF=    227 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:52:53 2021.
